SCHEMBL6780462

SCHEMBL6780462

COC(=O)CSCC=Cc1ccc(Cc2nc(-c3ccc(C)cc3)oc2C)o1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 4/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL6780459 1.00 SMN1; SMN2 (0.46) SMN1; SMN2RXFP1ALDH1A1POLBHSD17B10
SCHEMBL6776171 0.93 KDM4E (0.45) SMN1; SMN2ALDH1A1HSD17B10HPGDMAPT
SCHEMBL6776165 0.93 KDM4E (0.45) SMN1; SMN2ALDH1A1HSD17B10HPGDMAPT
SCHEMBL6776397 0.92 MAPT (0.49) SMN1; SMN2RXFP1ALDH1A1POLBHSD17B10
SCHEMBL6776403 0.92 MAPT (0.49) SMN1; SMN2RXFP1ALDH1A1POLBHSD17B10
SCHEMBL6771330 0.91 HSD17B10 (0.41) SMN1; SMN2RXFP1ALDH1A1POLBHSD17B10
SCHEMBL6771328 0.91 HSD17B10 (0.41) SMN1; SMN2RXFP1ALDH1A1POLBHSD17B10
SCHEMBL6775582 0.89 SMN1; SMN2 (0.45) SMN1; SMN2RXFP1ALDH1A1POLBHSD17B10
SCHEMBL6775585 0.89 SMN1; SMN2 (0.45) SMN1; SMN2RXFP1ALDH1A1POLBHSD17B10
SCHEMBL6775329 0.87 HSD17B10 (0.38) SMN1; SMN2RXFP1ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-12-04 US claimed
US-6589969-B1 A peroxisome proliferator activated receptor regulator containing a compound of formula (I) Because of having an effect of regulating PPAR, a compound of formula (I) is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-08 US claimed
EP-1122255-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-08-08 EP claimed
US-6821994-B2 A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR REGULATOR, AN OXAZOL-4-YL-METHYLFURAN-2-YL-2-PROPENYLTHIO- OR SULFONYL- OR SULFINYL-ACETIC ACID OR METHYL ESTER ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-23 US disclosed
US-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-12-04 US disclosed
US-6589969-B1 A peroxisome proliferator activated receptor regulator containing a compound of formula (I) Because of having an effect of regulating PPAR, a compound of formula (I) is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-08 US disclosed
EP-1122255-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-08-08 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-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD SMN1; SMN2 4662/4885RXFP1 1210/4885ALDH1A1 340/4885

“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.