SCHEMBL252910

SCHEMBL252910

CCc1ccc(Cl)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
CA2 P00918 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TTR P02766 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TUBB1 Q9H4B7 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 6/20 0.43
HTR2C P28335 6/20 0.43
HTR2B P41595 6/20 0.43

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
SCHEMBL12841591 0.84 HTR1A (0.48) ALDH1A1MAPTCA2L3MBTL1POLB
SCHEMBL2974160 0.83 TTR (0.60) ALDH1A1MAPTCA2L3MBTL1TTR
SCHEMBL1373688 0.83 KMT2A (0.57) PTGS2ALDH1A1MAPTCA2TTR
SCHEMBL31285935 0.83 TTR (0.60) ALDH1A1MAPTCA2L3MBTL1TTR
SCHEMBL10349093 0.82 CA2 (0.45) ALDH1A1MAPTCA2L3MBTL1TTR
SCHEMBL16200384 0.82 LMNA (0.56) ALDH1A1MAPTL3MBTL1POLBHPGD
SCHEMBL1548047 0.82 NPC1 (0.53) ALDH1A1MAPTCA2L3MBTL1TTR
SCHEMBL16301371 0.82 ALDH1A1 (0.39) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7368290 0.82 CA2 (0.45) ALDH1A1MAPTCA2L3MBTL1TTR
SCHEMBL29673212 0.82 CSNK2A1 (0.51) ALDH1A1MAPTCA2L3MBTL1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
WO-2022083703-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO, INC. (US) 2022-04-28 WO disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
WO-2017197555-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-11-23 WO disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US 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
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
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 PTGS2 1554/4885ALDH1A1 1641/4885MAPT 2738/4885
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 PTGS2 255/4885ALDH1A1 1364/4885MAPT 4464/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PTGS2 3436/4885ALDH1A1 3042/4885MAPT 2419/4885
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 PTGS2 1563/4885ALDH1A1 3524/4885MAPT 4883/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC PTGS2 2241/4885ALDH1A1 3719/4885MAPT 4190/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PTGS2 2036/4885ALDH1A1 1786/4885MAPT 4509/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PTGS2 2036/4885ALDH1A1 1786/4885MAPT 4509/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 PTGS2 1159/4885ALDH1A1 1201/4885MAPT 1920/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 PTGS2 696/4885ALDH1A1 3252/4885MAPT 2432/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 PTGS2 1563/4885ALDH1A1 3524/4885MAPT 4883/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 PTGS2 1563/4885ALDH1A1 3524/4885MAPT 4883/4885

“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.