SCHEMBL20253443

SCHEMBL20253443

O=C(O)C1C2(CC2)C12CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.36
APLNR P35414 1/20 0.33
CYP1A2 P05177 4/20 0.32
LMNA P02545 3/20 0.32
CYP2D6 P10635 3/20 0.32
ALOX15 P16050 3/20 0.32
BLM P54132 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
FFAR3 O14843 1/20 0.32
THRB P10828 1/20 0.32
PMP22 Q01453 1/20 0.32
GRM4 Q14833 6/20 0.31
TDP1 Q9NUW8 3/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM8 O00222 2/20 0.31
GRM6 O15303 2/20 0.31

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
SCHEMBL24868025 0.77 KDM4E (0.36) CYP2C19ALDH1A1KDM4E
SCHEMBL9617196 0.69 APLNR (0.42) CYP2C19APLNRLMNABLMRAB9A
SCHEMBL11246132 0.68 APLNR (0.36) APLNRFFAR3
SCHEMBL26938889 0.67
SCHEMBL4888774 0.62 APLNR (0.41) CYP2C19APLNRLMNABLMRAB9A
SCHEMBL3696609 0.62 ALDH1A1 (0.36) CYP2C19ALOX15TSHRTDP1ALDH1A1
SCHEMBL221717 0.62 APLNR (0.41) CYP2C19APLNRLMNABLMRAB9A
Methane SCHEMBL3337389 0.60 APLNR (0.39) CYP2C19APLNRFFAR3
Hydrochloric Acid SCHEMBL8617904 0.60 APLNR (0.39) CYP2C19APLNRFFAR3
Bicarbonate SCHEMBL139212 0.53

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634159-A1 SULFOXIMINES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-10-22 EP disclosed
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-12122788-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
US-20240252473-A1 Sulfoximines as inhibitors of NaV1.8 GRUENENTHAL GMBH (DE) 2024-08-01 US disclosed
WO-2024126648-A1 SULFOXIMINES AS INHIBITORS OF NaV1.8 Grünenthal GmbH (DE) 2024-06-20 WO disclosed
EP-4013741-B1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMA (US) 2024-04-17 EP disclosed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US disclosed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US disclosed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-11584761-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-21 US disclosed
US-11584761-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-21 US disclosed
EP-4013741-A1 PROCESS OF MAKING CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114555556-A Methods of making CFTR modulators 弗特克斯药品有限公司 2022-05-27 CN disclosed
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2021-02-18 US disclosed
EP-3752510-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM Vertex Pharmaceuticals Incorporated (US) 2020-12-23 EP disclosed
WO-2019161078-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 WO disclosed
US-20180162839-A1 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2018-06-14 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 (7 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-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 CYP2C19 966/4885APLNR 4520/4885CYP1A2 2282/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 CYP2C19 966/4885APLNR 4520/4885CYP1A2 2282/4885
US-20180162839-A1 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator CFTR, SLC26A4, TMEM109 CYP2C19 1564/4885APLNR 1544/4885CYP1A2 2126/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 CYP2C19 501/4885APLNR 2913/4885CYP1A2 1223/4885
US-20240252473-A1 Sulfoximines as inhibitors of NaV1.8 SCN8A, SCN10A, SCN7A CYP2C19 1908/4885APLNR 1164/4885CYP1A2 1391/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 CYP2C19 966/4885APLNR 4520/4885CYP1A2 2282/4885
US-12122788-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 CYP2C19 966/4885APLNR 4520/4885CYP1A2 2282/4885

“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.