SCHEMBL4396452

SCHEMBL4396452

COC(=O)CSCc1cccc(OCCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
FFAR1 O14842 2/20 0.49
NR1H4 Q96RI1 1/20 0.46
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
ADAM17 P78536 1/20 0.43
SLC2A1 P11166 1/20 0.43
SLC13A5 Q86YT5 1/20 0.43
BCL2 P10415 1/20 0.43
KMT2A Q03164 1/20 0.43
SMPD1 P17405 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 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
SCHEMBL4402844 0.94 CYP1A2 (0.51) CYP1A2FFAR1MMP12MMP13SIRT2
SCHEMBL4391170 0.90 CYP1A2 (0.59) CYP1A2FFAR1NR1H4MMP12MMP13
SCHEMBL4396609 0.88 SMPD1 (0.55) CYP1A2FFAR1SMPD1BCHE
SCHEMBL4395331 0.84 CYP1A2 (0.57) CYP1A2FFAR1MMP12MMP13SIRT2
SCHEMBL13591611 0.83 MMP12 (0.48) CYP1A2FFAR1MMP12MMP13SLC2A1
SCHEMBL4396155 0.83 CYP1A2 (0.48) CYP1A2FFAR1KMT2ASMPD1BCHE
SCHEMBL4400549 0.81 PPARG (0.53) CYP1A2
SCHEMBL4391358 0.81 PPARA (0.52) CYP1A2GAA
SCHEMBL4398735 0.81 PPARA (0.53) CYP1A2FFAR1
SCHEMBL4391194 0.81 PPARG (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7037914-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-02 US disclosed
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-11-10 US disclosed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US disclosed
US-6506757-B1 A peroxisome proliferator activated receptor regulator containing a carboxylic acid derivative, is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive and/or a remedy for diseases associating metabolic disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2003-01-14 US disclosed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 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 (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-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD CYP1A2 316/4885FFAR1 9/4885NR1H4 41/4885
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD CYP1A2 322/4885FFAR1 12/4885NR1H4 37/4885

“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.