SCHEMBL8435916

SCHEMBL8435916

CCc1ccc2scc(CC(=O)O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
MTNR1A P48039 5/20 0.60
SLC22A12 Q96S37 2/20 0.45
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MTNR1B P49286 1/20 0.40
MAPT P10636 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
SCHEMBL8605628 0.87 MTNR1A (0.59) KEAP1NFE2L2MTNR1ATP53SMN1; SMN2
SCHEMBL10224643 0.85 MTNR1A (0.62) KEAP1NFE2L2MTNR1AMTNR1B
SCHEMBL8605002 0.83 MTNR1A (0.55) KEAP1NFE2L2MTNR1ATP53SMN1; SMN2
SCHEMBL1520186 0.81 KEAP1 (0.68) KEAP1NFE2L2MTNR1ASLC22A12PPARG
SCHEMBL27594630 0.80 KEAP1 (0.57) KEAP1NFE2L2MTNR1ASLC22A12PPARG
SCHEMBL7429693 0.78 KEAP1 (0.68) KEAP1NFE2L2MTNR1ASLC22A12PPARG
SCHEMBL1520041 0.78 KEAP1 (1.00) KEAP1NFE2L2SLC22A12SMN1; SMN2MAPT
SCHEMBL22499949 0.78 KEAP1 (0.68) KEAP1NFE2L2MTNR1APPARGPPARD
SCHEMBL14439405 0.78 KEAP1 (0.62) KEAP1NFE2L2MTNR1ASLC22A12PPARG
SCHEMBL8884503 0.78 KEAP1 (0.62) KEAP1NFE2L2MTNR1APPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-08-16 US disclosed
EP-0721938-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-08 EP disclosed
US-5780512-A MELATONINERGIC ADIR ET COMPAGNIE (FR) 1998-07-14 US disclosed
US-5693665-A TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-02 US disclosed
EP-0721938-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 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-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR PPARG, PPARD, PPARA KEAP1 1877/4885NFE2L2 561/4885MTNR1A 124/4885

“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.