SCHEMBL1634402

SCHEMBL1634402

CCC(C)(C(=O)O)c1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NLRP3 Q96P20 1/20 0.38
CTBP2 P56545 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HIF1A Q16665 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL5679931 1.00 KIF11 (0.43) KIF11HSD17B1HSD17B2CA12CA1
SCHEMBL2060442 0.83 LMNA (0.48) KIF11CYP2C19CYP1A2CYP3A4CTBP2
SCHEMBL27576269 0.82 KIF11 (0.40) KIF11HSD17B1HSD17B2CA12CA1
SCHEMBL3365602 0.82 KIF11 (0.40) KIF11HSD17B1HSD17B2CA12CA1
SCHEMBL1068046 0.81 TSHR (0.43) KIF11CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL31320998 0.81 RIPK1 (0.44) KIF11CA1CA2CA9CYP2C19
SCHEMBL1626970 0.81 SCN5A (0.46) KIF11CYP2C19CYP1A2CTBP2
SCHEMBL1262382 0.81 KCNN4 (0.49) KIF11CYP2C19CYP1A2HIF1A
SCHEMBL30804997 0.81 CYP1A2 (0.39) CYP2C19CYP1A2HIF1A
SCHEMBL1492728 0.81 CYP2C19 (0.50) KIF11CYP2C19CYP1A2HIF1ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601251-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2014-11-12 EP disclosed
US-7932290-B2 Method for the treatment of metabolic disorders WELLSTAT BIOLOGICS CORPORATION (US) 2011-04-26 US disclosed
EP-2266946-A2 Compound For The Treatment Of Metabolic Disorders Wellstat Therapeutics Corporation (US) 2010-12-29 EP disclosed
EP-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
US-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2010-04-08 US disclosed
US-7615575-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2009-11-10 US disclosed
US-7605181-B2 Method for the treatment of metabolic disorders Wellstat Therapeutics Orporation (US) 2009-10-20 US disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-17 US disclosed
EP-1601251-A4 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2007-03-28 EP disclosed
US-20060247309-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2006-11-02 US disclosed
EP-1601251-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2005-12-07 EP disclosed
WO-2004073611-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2004-09-02 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-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A KIF11 3125/4885HSD17B1 133/4885HSD17B2 337/4885
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A KIF11 3125/4885HSD17B1 133/4885HSD17B2 337/4885
US-20060247309-A1 Compounds for the treatment of metabolic disorders CPT1B, CPT1A, FABP1 KIF11 2276/4885HSD17B1 75/4885HSD17B2 163/4885

“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.