SCHEMBL4172015

SCHEMBL4172015

CCC(=O)N(CC[O])c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
OPRM1 P35372 6/20 0.55
SIGMAR1 Q99720 4/20 0.55
ALDH1A1 P00352 2/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.51
JAK2 O60674 1/20 0.51
RAB9A P51151 1/20 0.51
PAX8 Q06710 1/20 0.51
ACHE P22303 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL4167170 0.89 TP53 (0.57) TP53OPRM1SIGMAR1ALDH1A1GLA
SCHEMBL2069920 0.87 TP53 (0.68) TP53OPRM1SIGMAR1ALDH1A1GLA
SCHEMBL4163295 0.86 TP53 (0.83) TP53OPRM1SIGMAR1ALDH1A1GLA
SCHEMBL17333385 0.84 TP53 (0.59) TP53OPRM1SIGMAR1ALDH1A1GLA
SCHEMBL19049114 0.84 NPC1 (0.67) TP53OPRM1SIGMAR1ALDH1A1GLA
SCHEMBL17333463 0.84 TP53 (0.59) TP53OPRM1SIGMAR1ALDH1A1GLA
SCHEMBL3199140 0.84 TP53 (0.64) TP53OPRM1SIGMAR1ALDH1A1GLA
SCHEMBL4153434 0.83 TP53 (0.68) TP53ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL2030599 0.82 ALDH1A1 (0.70) TP53OPRM1SIGMAR1ALDH1A1GLA
SCHEMBL29176461 0.82 OPRM1 (0.59) TP53OPRM1SIGMAR1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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 (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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 TP53 1939/4885OPRM1 819/4885SIGMAR1 900/4885

“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.