SCHEMBL7757488

SCHEMBL7757488

CCCCCCCCCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.53
PPARA Q07869 9/20 0.53
CYP2C9 P11712 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
PPARD Q03181 2/20 0.51
CTSK P43235 6/20 0.48
CTSS P25774 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL23117326 1.00 PPARG (0.53) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL8015241 0.95 PPARG (0.49) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL7430468 0.94 PPARG (0.55) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL8015239 0.93 PPARG (0.47) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL21153885 0.89 PPARA (0.57) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL6484104 0.89 PPARA (0.57) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL13855559 0.88 CTSK (0.47) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL15703669 0.86 CYP1A2 (0.50) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL15703381 0.86 CYP1A2 (0.50) PPARGPPARACYP2C9CYP1A2CYP2C19
SCHEMBL15703503 0.86 CYP1A2 (0.50) PPARGPPARACYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087337-A1 COMPOUNDS, COMPOSITIONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS VYOME THERAPEUTICS LIMITED (IN) 2021-03-25 US disclosed
EP-1091934-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS Parker Hughes Institute (US) 2001-04-18 EP disclosed
WO-2000000469-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INSTITUTE (US) 2000-01-06 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 (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-20210087337-A1 COMPOUNDS, COMPOSITIONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS CUTA, GMPS, MMP8 PPARG 2882/4885PPARA 3403/4885CYP2C9 1352/4885

“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.