SCHEMBL1939488

SCHEMBL1939488

CCS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.63
GAA P10253 1/20 0.54
CA2 P00918 3/20 0.43
PLCG1 P19174 1/20 0.41
RORC P51449 9/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1941301 0.85 PSIP1 (0.47) PSIP1GAACA2PLCG1RORC
SCHEMBL10455034 0.83 PSIP1 (0.74) PSIP1GAACA2PLCG1ALDH1A1
SCHEMBL9908320 0.81 PSIP1 (0.68) PSIP1GAACA2RORCALDH1A1
SCHEMBL1596746 0.80 PSIP1 (0.41) PSIP1GAACA2PLCG1ALDH1A1
SCHEMBL15212213 0.80 PSIP1 (0.41) PSIP1GAACA2PLCG1ALDH1A1
SCHEMBL23536140 0.79 MAOB (0.42) PSIP1GAACA2PLCG1ALDH1A1
SCHEMBL507843 0.79 ALDH1A1 (0.46) PSIP1GAACA2PLCG1ALDH1A1
SCHEMBL9745362 0.79 THRB (0.50) PSIP1CA2ALDH1A1CYP3A4CYP2C9
SCHEMBL9574391 0.79 THRB (0.50) PSIP1CA2ALDH1A1CYP3A4CYP2C9
SCHEMBL240747 0.79 ENPP2 (0.50) CA2ALDH1A1TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011285-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2025-01-09 US disclosed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
EP-3418280-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2022-12-27 US disclosed
US-20210300869-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICAL, LLC 2021-09-30 US disclosed
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-08-05 US disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
US-10829448-B2 Substituted benzoimidazoles as modulators of ROR-γ VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-10-20 US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
CN-101316591-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD (GB) 2008-12-03 CN disclosed
EP-1963317-A1 USE OF PYRROLO [2 , 3-B]PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN Novartis AG (CH) 2008-09-03 EP disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US disclosed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP disclosed
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 WO disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 WO disclosed
EP-1761529-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2005123731-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2005-12-29 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 (10 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-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 PSIP1 3515/4885GAA 1595/4885CA2 1673/4885
US-20250011285-A1 CYP11A1 INHIBITORS CYP11B1, CYP19A1, CYP11B2 PSIP1 3772/4885GAA 3567/4885CA2 1656/4885
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease CCR1, CCL2, CCL11 PSIP1 4871/4885GAA 4229/4885CA2 1603/4885
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA PSIP1 2094/4885GAA 594/4885CA2 1302/4885
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA PSIP1 2094/4885GAA 594/4885CA2 1302/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 PSIP1 2420/4885GAA 3783/4885CA2 2874/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 PSIP1 1417/4885GAA 3604/4885CA2 1292/4885
US-10829448-B2 Substituted benzoimidazoles as modulators of ROR-γ RORC, RORB, RORA PSIP1 1614/4885GAA 1518/4885CA2 2320/4885
US-20210300869-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA PSIP1 1702/4885GAA 1663/4885CA2 1890/4885
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA PSIP1 2094/4885GAA 594/4885CA2 1302/4885

“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.