SCHEMBL8884503

SCHEMBL8884503

COc1ccc2scc(CC(=O)O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
MTNR1A P48039 6/20 0.62
MTNR1B P49286 4/20 0.62
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 2/20 0.55
LCK P06239 1/20 0.49
AKR1C2 P52895 3/20 0.48
AKR1C3 P42330 3/20 0.48
PTGS1 P23219 2/20 0.48
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
AKR1C4 P17516 1/20 0.44

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
SCHEMBL2878482 0.88 PPARD (0.57) KEAP1NFE2L2MTNR1AMTNR1BHSD17B10
SCHEMBL28559146 0.87 MTNR1A (0.61) KEAP1NFE2L2MTNR1AMTNR1BPPARG
SCHEMBL19630730 0.83 MTNR1A (0.57) KEAP1NFE2L2MTNR1AMTNR1BHSD17B10
SCHEMBL6151456 0.81 MTNR1A (0.60) KEAP1NFE2L2MTNR1AMTNR1BKDM4E
SCHEMBL1520186 0.80 KEAP1 (0.68) KEAP1NFE2L2MTNR1AMTNR1BKDM4E
SCHEMBL17785108 0.79 MTNR1A (0.65) MTNR1AMTNR1BKDM4E
SCHEMBL8178169 0.79 PLA2G2A (0.51) KEAP1NFE2L2MTNR1AMTNR1BAKR1C2
SCHEMBL8171657 0.79 KEAP1 (0.57) KEAP1NFE2L2MTNR1AMTNR1BKDM4E
SCHEMBL7340610 0.78 MTNR1A (0.57) MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL8435916 0.78 KEAP1 (0.64) KEAP1NFE2L2MTNR1AMTNR1BHSD17B10

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-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
US-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US 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-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KEAP1 1961/4885NFE2L2 3636/4885MTNR1A 233/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG KEAP1 3982/4885NFE2L2 1360/4885MTNR1A 98/4885

“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.