SCHEMBL910353

SCHEMBL910353

Fc1[c]cc2c(c1)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
BLM P54132 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
CTNNB1 P35222 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ALOX5 P09917 1/20 0.31
MAOB P27338 1/20 0.30
PKM P14618 1/20 0.30
PKLR P30613 1/20 0.30
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 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
SCHEMBL789550 0.86 CYP3A4 (0.35) HTTPTGS2PTGS1ALDH1A1
SCHEMBL20581554 0.77 PRKCI (0.33) MAPT
SCHEMBL3076780 0.73 MAOB (0.33) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL2205252 0.73 ALDH1A1 (0.35) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL1096341 0.73 MAPT (0.41) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL20564042 0.70 ALDH1A1 (0.41) HTTALDH1A1PKMPKLR
SCHEMBL28892684 0.69 ITGB2 (0.43) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL30002488 0.69 ITGB2 (0.43) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL20563759 0.69 NPC1 (0.32) TSHRSMN1; SMN2
SCHEMBL20563658 0.68 ALDH1A1 (0.32) ITGB2ICAM1ITGALLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US claimed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP claimed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US claimed
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP claimed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US claimed
EP-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP claimed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO claimed
US-8389524-B2 Tricyclic nitrogen containing compounds as antibacterial agents GLAXO GROUP LIMITED (GB) 2013-03-05 US claimed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
EP-1560488-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2006-08-02 EP claimed
US-20060166977-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2006-07-27 US claimed
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma AMGEN INC. 2005-11-03 US claimed
WO-2005073224-A2 QUINOLINE QUINAZOLINE PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION ANGIOGENESIS AND CANCER AMGEN INC (US) 2005-08-11 WO claimed
EP-1560488-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP claimed
EP-1560821-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP claimed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO claimed
WO-2004096982-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-11 WO claimed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO claimed

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

For each of this compound's patents that has machine-readable text (6 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-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 ITGB2 4267/4885ICAM1 3763/4885ITGAL 4559/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ITGB2 1499/4885ICAM1 3648/4885ITGAL 2788/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ITGB2 1499/4885ICAM1 3648/4885ITGAL 2788/4885
US-20060166977-A1 Antibacterial agents NQO2, NRDC, IFNG ITGB2 4742/4885ICAM1 3907/4885ITGAL 4153/4885
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma HGF, MET, HGFAC ITGB2 4248/4885ICAM1 1087/4885ITGAL 2912/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 ITGB2 4383/4885ICAM1 3961/4885ITGAL 4268/4885

“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.