SCHEMBL2189751

SCHEMBL2189751

CC(C(=O)OCc1ccccc1)c1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46
MAOB P27338 1/20 0.45
ALOX5 P09917 1/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6161422 1.00 PPARG (0.46) PPARGPPARAALDH1A1PTGS1PTGS2
SCHEMBL6162102 1.00 PPARG (0.46) PPARGPPARAALDH1A1PTGS1PTGS2
SCHEMBL10594163 0.85 ALDH1A1 (0.49) PPARGPPARAALDH1A1PTGS1PTGS2
SCHEMBL4007604 0.85 ALDH1A1 (0.58) PPARGPPARAALDH1A1PTGS1KMT2A
SCHEMBL306179 0.84 POLB (0.51) PPARGPPARAALDH1A1PTGS1PTGS2
SCHEMBL20004309 0.84 ALDH1A1 (0.50) PPARGPPARAALDH1A1PTGS1MAOB
SCHEMBL21539091 0.83 TACR1 (0.47) PPARGPPARAALDH1A1PSEN1PSEN2
SCHEMBL11628886 0.83 CPN1 (0.49) ALDH1A1CPN1CPB2MAOBKMT2A
SCHEMBL27577500 0.83 ALDH1A1 (0.41) ALDH1A1CPN1CPB2MAOBKMT2A
SCHEMBL6163227 0.82 SMN1; SMN2 (0.48) ALDH1A1PTGS1PTGS2CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486491-B1 CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-07-13 EP disclosed
US-7351705-B2 Carboxylic acid compounds and a pharmaceutical agent comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-08-09 US disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 EP disclosed
WO-2004098609-A1 BENZOTRIAZEPINE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-11-18 WO disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 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-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 PPARG 967/4885PPARA 838/4885ALDH1A1 588/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR PPARG 276/4885PPARA 602/4885ALDH1A1 2440/4885

“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.