SCHEMBL17688574

SCHEMBL17688574

CCS(=O)(=O)c1ccc(C2CO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.48
CHRM5 P08912 8/20 0.48
CHRM3 P20309 7/20 0.48
GAA P10253 1/20 0.47
PSIP1 O75475 2/20 0.47
TSHR P16473 1/20 0.43
GSTO1 P78417 1/20 0.41
CHRM1 P11229 6/20 0.39
CHRM4 P08173 5/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL1583079 0.80 CHRM2 (0.50) CHRM2CHRM5CHRM3TSHRGSTO1
SCHEMBL6318357 0.76 CA2 (0.48) CHRM2CHRM5CHRM3TSHR
SCHEMBL10455034 0.76 PSIP1 (0.74) GAAPSIP1
SCHEMBL46155 0.73 TSHR (0.72) CHRM2CHRM5CHRM3TSHRGSTO1
SCHEMBL17688656 0.73 PSIP1 (0.52) CHRM2CHRM5CHRM3GAAPSIP1
SCHEMBL17688628 0.73 PSIP1 (0.52) CHRM2CHRM5CHRM3GAAPSIP1
SCHEMBL10181940 0.73 RORC (0.62) GAAPSIP1RORC
SCHEMBL6302182 0.73 CHRM2 (0.67) CHRM2CHRM5CHRM3GAATSHR
SCHEMBL17688567 0.73 PSIP1 (0.52) CHRM2CHRM5CHRM3GAAPSIP1
SCHEMBL14185372 0.72 CHRM2 (0.50) CHRM2CHRM5CHRM3GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230523-A Benzimidazole derivatives as modulators of ROR-gamma 生命医药有限责任公司 2022-03-25 CN disclosed
EP-3939974-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, LLC (US) 2022-01-19 EP disclosed
EP-3408268-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-08-04 EP disclosed
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 US disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-20200339566-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. 2020-10-29 US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 US disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 US disclosed
US-9796710-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-9796710-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
EP-3207043-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2017-08-23 EP disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed
US-20170081327-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-03-23 US disclosed
US-20170081327-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-03-23 US disclosed
US-9481674-B1 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
WO-2016061160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2016-04-21 WO disclosed
WO-2016061160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2016-04-21 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 (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-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA RORB, RORC, RORA CHRM2 2052/4885CHRM5 2726/4885CHRM3 1316/4885
US-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA CHRM2 1783/4885CHRM5 2622/4885CHRM3 1458/4885
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma RORB, RORC, RORA CHRM2 2353/4885CHRM5 3212/4885CHRM3 1877/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA CHRM2 1783/4885CHRM5 2622/4885CHRM3 1458/4885
US-20170081327-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CHRM2 1678/4885CHRM5 2507/4885CHRM3 1530/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA CHRM2 1581/4885CHRM5 2316/4885CHRM3 1269/4885
US-20200339566-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CHRM2 2186/4885CHRM5 2859/4885CHRM3 1892/4885

“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.