SCHEMBL4790447

SCHEMBL4790447

CCCCCc1cc(C(=O)O)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.54
HCAR3 P49019 6/20 0.54
ALPL P05186 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PPARA Q07869 1/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL1527555 0.95 HCAR2 (0.53) HCAR2HCAR3ALPLCA12CA9
Hydrochloric Acid SCHEMBL27449787 0.93 HCAR2 (0.51) HCAR2HCAR3ALPLCA12CA9
SCHEMBL1092 0.88 HCAR3 (0.54) HCAR2HCAR3ALPLCA12CA9
Hydrochloric Acid SCHEMBL31467460 0.86 HCAR3 (0.53) HCAR2HCAR3ALPLCA12CA9
SCHEMBL16763221 0.84 HCAR3 (0.50) HCAR2HCAR3ALPLCA12CA9
SCHEMBL6111559 0.81 HCAR3 (0.43) HCAR2HCAR3ALPLCA12CA9
SCHEMBL1431995 0.80 ALPL (0.54) HCAR2HCAR3ALPLCA12CA9
SCHEMBL4057741 0.80 HCAR2 (0.44) HCAR2HCAR3ALPLPPARA
SCHEMBL6109364 0.79 HCAR3 (0.44) HCAR2HCAR3ALPLCA12CA9
SCHEMBL11666797 0.78 HCAR2 (0.48) HCAR2HCAR3PPARAKCNH2

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-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
US-20030186998-A1 Methods for treatment of disorders of cardiac contractility JOHN HOPKINS UNIVERSITY 2003-10-02 US disclosed
US-6569862-B1 Adminstering xanthine oxidase inhibitor such as allopurinol JOHNS HOPKINS UNIVERSITY 2003-05-27 US disclosed
EP-1044002-A4 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY UNIV JOHNS HOPKINS (US) 2003-05-02 EP disclosed
US-6191136-B1 ADMINISTERING XANTHINE OXIDASE INHIBITOR JOHNS HOPKINS UNIVERSITY 2001-02-20 US disclosed
EP-1044002-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 2000-10-18 EP disclosed
WO-1999024038-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 1999-05-20 WO disclosed
US-4495195-A ANTI-GOUT, ANTI-GOUTY ARTHRITIS AGENTS ELI LILLY AND COMPANY (US) 1985-01-22 US disclosed
EP-0112623-A2 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions ELI LILLY AND COMPANY (US) 1984-07-04 EP disclosed
EP-0112623-A2 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions ELI LILLY AND COMPANY (US) 1984-07-04 EP 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 (1 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-20030186998-A1 Methods for treatment of disorders of cardiac contractility TNNI3, TNNT2, RYR2 HCAR2 362/4885HCAR3 416/4885ALPL 737/4885

“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.