SCHEMBL17710286

SCHEMBL17710286

CCSc1ccc([C@H](CO)N[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.36
RIPK1 Q13546 1/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL17710287 1.00 SLC6A4 (0.36) SLC6A4RIPK1MAOANPC1RAB9A
SCHEMBL28725351 1.00 SLC6A4 (0.36) SLC6A4RIPK1MAOANPC1RAB9A
SCHEMBL29488706 1.00 SLC6A4 (0.36) SLC6A4RIPK1MAOANPC1RAB9A
SCHEMBL21570469 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL21570471 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL17710306 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL21570467 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL17710305 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL29488715 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL29488689 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A

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 13 patents. 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-11001583-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-11 US 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-20200231597-A1 BICYLIC COMPOUND ACTING AS AN INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-23 US disclosed
US-20200079767-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2020-03-12 US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 US disclosed
EP-3408268-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-12-05 EP disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed
US-9663515-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160122345-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US 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-11001583-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA SLC6A4 4687/4885RIPK1 1464/4885MAOA 4051/4885
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA RORB, RORC, RORA SLC6A4 4690/4885RIPK1 1682/4885MAOA 4091/4885
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma RORB, RORC, RORA SLC6A4 4744/4885RIPK1 2063/4885MAOA 4102/4885
US-20160122345-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA SLC6A4 4687/4885RIPK1 1464/4885MAOA 4051/4885
US-20200079767-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA SLC6A4 4687/4885RIPK1 1464/4885MAOA 4051/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA SLC6A4 4810/4885RIPK1 1933/4885MAOA 4572/4885
US-20200231597-A1 BICYLIC COMPOUND ACTING AS AN INHIBITOR RORC, RORB, RORA SLC6A4 4497/4885RIPK1 651/4885MAOA 2319/4885

“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.