SCHEMBL30878139

SCHEMBL30878139

COC(=O)[C@@H](CC(F)(F)F)N(C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ CTRB1 P17538 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ EPOR P19235 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL19435386 0.83 CYP2C19 (0.43) ALDH1A1KDM4EATMNPC1RAB9A
SCHEMBL17571446 0.83 CYP2C19 (0.43) ALDH1A1KDM4EATMNPC1RAB9A
SCHEMBL27761706 0.82 ADRA2B (0.51) ALDH1A1KDM4EATMNPC1RAB9A
SCHEMBL17833257 0.82 ADRA2B (0.51) ALDH1A1KDM4EATMNPC1RAB9A
Hydrochloric Acid SCHEMBL28915526 0.81 ADRA2B (0.50) ALDH1A1KDM4EATMNPC1RAB9A
SCHEMBL22562181 0.81 MMP13 (0.47) ALDH1A1KDM4EATMNPC1RAB9A
SCHEMBL28627165 0.80 ABCB1 (0.47) ALDH1A1KDM4EATMNPC1RAB9A
SCHEMBL28784090 0.80 MMP1 (0.50) ATMNPC1RAB9AMMP13MEN1
SCHEMBL28784089 0.80 MMP1 (0.50) ATMNPC1RAB9AMMP13MEN1
SCHEMBL28622030 0.80 ABCB1 (0.47) ALDH1A1KDM4EATMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-08-28 — — US disclosed
EP-4587012-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
WO-2024056791-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO 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 (1 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-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS CFTR, RRS1, PKD1 ALDH1A1 2971/4885KDM4E 4686/4885ATM 701/4885

“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.

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