SCHEMBL17688652

SCHEMBL17688652

CCS(=O)(=O)c1ccc([C@@H](N)CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
PSIP1 O75475 2/20 0.48
RORC P51449 6/20 0.42
RORA P35398 3/20 0.42
CA2 P00918 5/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KIF11 P52732 1/20 0.36
SLC6A4 P31645 1/20 0.35
JAK2 O60674 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL17688647 1.00 GAA (0.50) GAAPSIP1RORCRORACA2
SCHEMBL21570457 1.00 GAA (0.50) GAAPSIP1RORCRORACA2
Methyl Alcohol SCHEMBL29070040 0.98 GAA (0.48) GAAPSIP1RORCRORACA2
Hydrochloric Acid SCHEMBL18440748 0.98 GAA (0.53) GAAPSIP1RORCRORACA2
Methyl Alcohol SCHEMBL29070039 0.98 GAA (0.48) GAAPSIP1RORCRORACA2
Hydrochloric Acid SCHEMBL17711637 0.98 GAA (0.53) GAAPSIP1RORCRORACA2
SCHEMBL23632951 0.86 GAA (0.47) GAAPSIP1RORCRORACA2
SCHEMBL17711706 0.86 GAA (0.47) GAAPSIP1RORCRORACA2
SCHEMBL17711707 0.86 GAA (0.47) GAAPSIP1RORCRORACA2
SCHEMBL16232126 0.85 GAA (0.53) GAAPSIP1RORCRORACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed
CN-113072476-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-05-14 CN disclosed
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-113072521-B ROR gamma t inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-117800904-A ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2024-04-02 CN disclosed
CN-113166061-B ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2023-11-21 CN disclosed
CN-112601745-B Azaaryl amide derivative and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-06-27 CN disclosed
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
CN-113912597-B ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业(成都)有限公司 2023-06-13 CN disclosed
WO-2017024018-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-02-09 WO disclosed
US-9481674-B1 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20160122345-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US disclosed
US-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US disclosed
US-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US disclosed
US-20160122345-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US disclosed
US-20160122345-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 US disclosed
US-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 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 (2 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-20160122318-A1 ISOINDOLINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA GAA 1078/4885PSIP1 2830/4885RORC 1/4885
US-20160122345-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA GAA 594/4885PSIP1 2094/4885RORC 1/4885

“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.