SCHEMBL2883493

SCHEMBL2883493

COc1ccc2c(c1)CCC[C@@H]2CC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.69
FFAR1 O14842 2/20 0.59
KDM4C Q9H3R0 3/20 0.56
PPARA Q07869 3/20 0.56
PPARG P37231 1/20 0.54

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
SCHEMBL2878638 1.00 PPARD (0.69) PPARDFFAR1KDM4CPPARAPPARG
SCHEMBL1430487 1.00 PPARD (0.69) PPARDFFAR1KDM4CPPARAPPARG
SCHEMBL2995086 0.92 PPARD (0.80) PPARDPPARAPPARG
SCHEMBL821101 0.92 PPARD (0.80) PPARDPPARAPPARG
SCHEMBL820621 0.92 PPARD (0.80) PPARDPPARAPPARG
SCHEMBL8884747 0.89 MTNR1A (0.61) PPARD
SCHEMBL14378591 0.88 PPARD (0.67) PPARDFFAR1PPARAPPARG
SCHEMBL4622325 0.87 SIGMAR1 (0.56) PPARDKDM4C
SCHEMBL4758807 0.87 PPARD (0.59) PPARDFFAR1KDM4CPPARAPPARG
SCHEMBL4758808 0.87 PPARD (0.59) PPARDFFAR1KDM4CPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975023-B1 GUANIDINOBENZOIC ACID ESTER COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-05-30 EP disclosed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US disclosed
EP-2975023-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND Astellas Pharma Inc. (JP) 2016-01-20 EP disclosed
EP-2079467-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2015-11-18 EP disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-7759493-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2010-07-20 US disclosed
US-7759493-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2010-07-20 US disclosed
US-7759493-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2010-07-20 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
US-20090312303-A1 Antidiabetic Bicyclic Compounds MERCK & CO., INC. (US) 2009-12-17 US disclosed
US-20090312303-A1 Antidiabetic Bicyclic Compounds MERCK & CO., INC. (US) 2009-12-17 US disclosed
US-20090312303-A1 Antidiabetic Bicyclic Compounds MERCK & CO., INC. (US) 2009-12-17 US disclosed
EP-1846379-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO INC (US) 2009-08-19 EP disclosed
WO-2008054675-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-08 WO disclosed
WO-2008054674-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-08 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 (3 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-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, FFAR2, GPR65 PPARD 19/4885FFAR1 8/4885KDM4C 3217/4885
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 PPARD 679/4885FFAR1 1152/4885KDM4C 3172/4885
US-20090312303-A1 Antidiabetic Bicyclic Compounds GPR119, GPR55, GPR65 PPARD 15/4885FFAR1 12/4885KDM4C 2790/4885

“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.