SCHEMBL17688702

SCHEMBL17688702

CCSc1ccc(C(=N[S+]([O-])C(C)(C)C)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
GAA P10253 1/20 0.32
CTSB P07858 1/20 0.32
ELANE P08246 1/20 0.32
DUSP3 P51452 1/20 0.32
GRK6 P43250 1/20 0.32
HAO1 Q9UJM8 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ALDH1A1 P00352 5/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17688704 1.00 RAB9A (0.39) RAB9ANPC1TAS1R3TAS1R1GAA
SCHEMBL17688701 1.00 RAB9A (0.39) RAB9ANPC1TAS1R3TAS1R1GAA
SCHEMBL17688700 1.00 RAB9A (0.39) RAB9ANPC1TAS1R3TAS1R1GAA
SCHEMBL28553100 0.85 RAB9A (0.47) RAB9ANPC1TAS1R3TAS1R1GAA
SCHEMBL29185240 0.85 RAB9A (0.47) RAB9ANPC1TAS1R3TAS1R1GAA
SCHEMBL17695888 0.85 RAB9A (0.47) RAB9ANPC1TAS1R3TAS1R1GAA
SCHEMBL21112252 0.79 CA1 (0.39) RAB9ANPC1HAO1ALDH1A1SMN1; SMN2
SCHEMBL21112253 0.79 CA1 (0.39) RAB9ANPC1HAO1ALDH1A1SMN1; SMN2
SCHEMBL21112254 0.79 CA1 (0.39) RAB9ANPC1HAO1ALDH1A1SMN1; SMN2
SCHEMBL22612074 0.79 CA1 (0.39) RAB9ANPC1HAO1ALDH1A1SMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302185-B Benzofuran-6-carboxamide derivatives, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-04-09 CN disclosed
CN-113302185-A Benzofuran-6-carboxamide derivatives, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2021-08-24 CN disclosed
US-20200339566-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. 2020-10-29 US disclosed
EP-3207043-B3 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2019-10-02 EP disclosed
EP-3207043-B1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS INC (US) 2018-12-12 EP disclosed
US-10087184-B2 Dihydropyrrolopyridine inhibitors of RORγ VITAE PHARMACEUTICALS, INC. (US) 2018-10-02 US disclosed
US-20180222902-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 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
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

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-20180222902-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA RAB9A 977/4885NPC1 1355/4885TAS1R3 3920/4885
US-20170081327-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA RAB9A 848/4885NPC1 1504/4885TAS1R3 4344/4885
US-10087184-B2 Dihydropyrrolopyridine inhibitors of RORγ RORC, RORB, RORA RAB9A 1323/4885NPC1 738/4885TAS1R3 2823/4885
US-20200339566-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA RAB9A 977/4885NPC1 1355/4885TAS1R3 3920/4885

“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.