SCHEMBL170725

SCHEMBL170725

COc1cccc(C)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 1/20 0.48
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NQO2 P16083 3/20 0.40
NPC1 O15118 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
SCHEMBL630768 0.85 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL30833846 0.83 TSHR (0.40) CA1CA2CA7CA9ALDH1A1
SCHEMBL130382 0.82
SCHEMBL19770519 0.81 TOP1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL27493824 0.79 ACHE (0.37) CA1CA2CA7CA9ALDH1A1
SCHEMBL1146041 0.79 ACHE (0.37) CA1CA2CA7CA9ALDH1A1
SCHEMBL29387155 0.78 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL196734 0.78 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3769995 0.78 TUBB1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL28296673 0.77 PTPN1 (0.49) ALDH1A1LMNAMAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN claimed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO claimed
CN-110078633-A A kind of fluoro- 3- methoxyl group -5- methylaniline hydrochloride preparation method of 4- 爱斯特(成都)生物制药股份有限公司 2019-08-02 CN claimed
CN-109516923-A Compounds and organic luminescent device comprising it 东进世美肯株式会社 2019-03-26 CN claimed
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP claimed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US claimed
EP-2183239-A1 SULFONAMIDES AS TRPM8 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-05-12 EP claimed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US claimed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 WO claimed
US-20260137697-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIV DE MONTREAL (CA) 2026-05-21 US disclosed
CN-117177975-B Pyrimido [5,4, D ] pyrimidine compounds, compositions comprising the same and uses thereof 蒙特利尔大学 2026-05-19 CN disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 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 (4 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CA1 4865/4885CA2 4471/4885CA7 4714/4885
US-20260137697-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, KRAS, BRAF CA1 4656/4885CA2 2173/4885CA7 2993/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CA1 4847/4885CA2 4309/4885CA7 4648/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 CA1 1538/4885CA2 264/4885CA7 1758/4885

“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.