SCHEMBL24241065

SCHEMBL24241065

COC(=O)c1nc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CES2 O00748 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ AADAC P22760 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HTT P42858 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29381761 1.00 AR (0.42) ARCYP3A4SMN1; SMN2MAPK1ALDH1A1
SCHEMBL29379156 0.85 AR (0.43) ARCYP3A4SMN1; SMN2MAPK1ALDH1A1
SCHEMBL24241054 0.85 AR (0.43) ARCYP3A4SMN1; SMN2MAPK1ALDH1A1
SCHEMBL29028876 0.85 CYP3A4 (0.41) ARCYP3A4SMN1; SMN2MAPK1ALDH1A1
SCHEMBL30512450 0.82 AR (0.41) ARCYP3A4SMN1; SMN2MAPK1ALDH1A1
SCHEMBL25380172 0.82 AR (0.41) ARCYP3A4SMN1; SMN2MAPK1ALDH1A1
SCHEMBL24241153 0.81 NOTUM (0.45) MAPK1ALDH1A1LMNAHTTL3MBTL1
SCHEMBL30397234 0.81 NOTUM (0.45) MAPK1ALDH1A1LMNAHTTL3MBTL1
SCHEMBL8975900 0.81 ALDH1A1 (0.49) ARCYP3A4SMN1; SMN2MAPK1ALDH1A1
SCHEMBL31214243 0.80 CFTR (0.41) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340568-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION VERTEX PHARMA (US) 2025-11-06 — — US disclosed
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 — — US disclosed
US-20250332151-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMA (US) 2025-10-30 — — US disclosed
US-20250320226-A1 METHODS OF PREPARING AND CRYSTALLINE FORMS OF (6A,12A)-17-AMINO-12-METHYL-6,15-BIS(TRIFLUOROMETHYL)-13,19-DIOXA-3,4,18-TRIAZATRICYCLO[12.3.1.12,5]NONADECA-1(18),2,4,14,16-PENTAEN-6-OL VERTEX PHARMA (US) 2025-10-16 — — US disclosed
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 — — US disclosed
US-20250179091-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-06-05 — — US disclosed
EP-4192829-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-05-07 — — EP disclosed
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-04-17 — — US disclosed
US-12269831-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-08 — — US disclosed
EP-4525986-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION Vertex Pharmaceuticals Incorporated (US) 2025-03-26 — — EP disclosed
CN-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 — — CN disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
WO-2023150236-A1 METHODS OF PREPARING AND CRYSTALLINE FORMS OF (6A,12A)-17-AMINO-12-METHYL-6,15-BIS(TRIFLUOROMETHYL)-13,19-DIOXA-3,4,18-TRIAZATRICYCLO[ 12.3.1.12,5]NONADECA-1(18),2,4,14,16-PENTAEN-6-OL VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-10 — — WO disclosed
EP-4192829-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-06-14 — — EP disclosed
CN-116171154-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-05-26 — — CN disclosed
US-20230099745-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2023-03-30 — — US disclosed
WO-2022109573-A1 MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-27 — — WO disclosed
WO-2022032068-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-02-10 — — WO disclosed
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-02-10 — — US disclosed
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-02-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12269831-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B AR 4693/4885CYP3A4 4406/4885SMN1; SMN2 4797/4885
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AR 4692/4885CYP3A4 4125/4885SMN1; SMN2 4787/4885
US-20250332151-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS CFTR, SLC26A4, SLC26A3 AR 3978/4885CYP3A4 4106/4885SMN1; SMN2 3077/4885
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AR 4693/4885CYP3A4 4406/4885SMN1; SMN2 4797/4885
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AR 4693/4885CYP3A4 4406/4885SMN1; SMN2 4797/4885
US-20250340568-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION CFTR, SLC26A4, PKD1 AR 3482/4885CYP3A4 515/4885SMN1; SMN2 3749/4885
US-20250179091-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AR 4693/4885CYP3A4 4406/4885SMN1; SMN2 4797/4885
US-20250320226-A1 METHODS OF PREPARING AND CRYSTALLINE FORMS OF (6A,12A)-17-AMINO-12-METHYL-6,15-BIS(TRIFLUOROMETHYL)-13,19-DIOXA-3,4,18-TRIAZATRICYCLO[12.3.1.12,5]NONADECA-1(18),2,4,14,16-PENTAEN-6-OL CFTR, PKD1, AQP1 AR 2056/4885CYP3A4 279/4885SMN1; SMN2 3160/4885
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B AR 4693/4885CYP3A4 4406/4885SMN1; SMN2 4797/4885
US-20230099745-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AR 4693/4885CYP3A4 4406/4885SMN1; SMN2 4797/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback