SCHEMBL15569786

SCHEMBL15569786

O=C(O)c1c(Cl)cccc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PBRM1 Q86U86 1/20 0.42
DPP4 P27487 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
SCHEMBL15570366 0.93 TAS1R3 (0.47) RORCTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15569264 0.93 TAS1R3 (0.47) RORCTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15570286 0.91 TAS1R3 (0.46) RORCTAS1R3TAS1R1TAS1R2
SCHEMBL17323526 0.86 CA12 (0.44) RORC
SCHEMBL15569345 0.85 ALDH1A1 (0.61) RORCTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL18810018 0.84 ALDH1A1 (0.41) RORCTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL16888471 0.84 TAS1R3 (0.44) RORCTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL21181630 0.84 TAS1R3 (0.44) RORCTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL21344005 0.81 DPP4 (0.42) RORCALDH1A1DPP4
SCHEMBL20275229 0.80 TAS1R3 (0.48) RORCTAS1R3TAS1R1TAS1R2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107735401-B Substituted dihydropyrrolopyrazole derivatives 宇部兴产株式会社 2021-08-31 CN disclosed
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
EP-3368539-B1 SUBSTITUTED INDAZOLE COMPOUNDS AS ROR GAMMA T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3368539-B1 SUBSTITUTED INDAZOLE COMPOUNDS AS ROR GAMMA T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3368516-B1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
EP-3368516-B1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
CN-104822376-A 3-cyclohexenyl and cyclohexyl substituted indole and indazole compounds as ROR γ T inhibitors and uses thereof MERCK SHARP & DOHME 2015-08-05 CN disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
EP-2884976-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
EP-2884981-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014028589-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028597-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 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 (3 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-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA RORC 2/4885TAS1R3 3507/4885TAS1R1 3937/4885
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 RORC 3363/4885TAS1R3 867/4885TAS1R1 1441/4885
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA RORC 2/4885TAS1R3 3693/4885TAS1R1 3540/4885

“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.