SCHEMBL393075

SCHEMBL393075

N#Cc1ccc(C(=O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.51
TRPV4 Q9HBA0 1/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CYP11B2 P19099 2/20 0.47
CYP11B1 P15538 1/20 0.47
TRPA1 O75762 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
NR3C2 P08235 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
S1PR1 P21453 1/20 0.45

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
Hydrochloric Acid SCHEMBL6518510 0.98 S1PR3 (0.50) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL26773595 0.86 KDM4E (0.60) LMNACYP11B2CYP11B1NR3C2SIRT5
SCHEMBL356343 0.85 CNR2 (0.49) S1PR3LMNAMAPK1HTTRAB9A
SCHEMBL30452559 0.85 CNR2 (0.49) S1PR3LMNAMAPK1HTTRAB9A
SCHEMBL2163791 0.85 S1PR3 (0.51) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL1953476 0.83 CYP11B2 (0.60) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL1274914 0.83 KCNQ3 (0.55) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL15464961 0.83 CYP11B2 (0.60) S1PR3TRPV4KCNQ3KCNQ2KCNE1
SCHEMBL29472005 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMRGPRX4
SCHEMBL4844022 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO claimed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO claimed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN claimed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US claimed
EP-4132933-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-02-15 EP claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US claimed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP claimed
EP-1244613-A2 METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES MILLENIUM PHARMACEUTICALS, INC. (US) 2002-10-02 EP claimed
US-20020072626-A1 Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds COR THERAPEUTICS, INC. 2002-06-13 US claimed
WO-2001042198-A2 METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES MILLENIUM PHARMACEUTICALS, INC. (US) 2001-06-14 WO claimed
CN-122071464-A Heterocyclic compound, pharmaceutical composition thereof and application thereof 上海璎黎药业有限公司 2026-05-22 CN disclosed
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME CHECKMATE THERAPEUTICS INC. (KR) 2026-01-22 US disclosed
US-20250376621-A1 HALIDE PEROVSKITE NANOCRYSTAL PARTICLES, EMITTERS, MANUFACTURING METHOD THEREOF SEOUL NAT UNIV R&DB FOUNDATION (KR) 2025-12-11 US disclosed
EP-0858451-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-08-19 EP disclosed
WO-1997014686-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS ASTRA PHARMACEUTICALS LIMITED (GB) 1997-04-24 WO disclosed
US-5595686-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-01-21 US disclosed
EP-0699683-A1 Novel silacyclohexane compounds a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-03-06 EP 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 (5 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-20020072626-A1 Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds PFKP, PCCA, TBXAS1 S1PR3 4423/4885TRPV4 1923/4885KCNQ3 2879/4885
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 S1PR3 529/4885TRPV4 1179/4885KCNQ3 2877/4885
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity ACAT2, ACAT1, AGPAT2 S1PR3 2973/4885TRPV4 1118/4885KCNQ3 2055/4885
US-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B S1PR3 1491/4885TRPV4 1449/4885KCNQ3 505/4885
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME NAMPT, NAPRT, NNT S1PR3 965/4885TRPV4 1744/4885KCNQ3 1680/4885

“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.