SCHEMBL4158350

SCHEMBL4158350

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.66
NPC1 O15118 1/20 0.60
JAK2 O60674 1/20 0.60
RAB9A P51151 1/20 0.60
PAX8 Q06710 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.54
LTB4R2 Q9NPC1 10/20 0.52
AGTR1 P30556 1/20 0.48
MLYCD O95822 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45

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
SCHEMBL4149225 0.98 TP53 (0.64) TP53NPC1JAK2RAB9APAX8
SCHEMBL4155537 0.98 TP53 (0.64) TP53NPC1JAK2RAB9APAX8
SCHEMBL4159317 0.98 TP53 (0.64) TP53NPC1JAK2RAB9APAX8
SCHEMBL4153434 0.95 TP53 (0.68) TP53NPC1JAK2RAB9APAX8
SCHEMBL4167183 0.92 TP53 (0.64) TP53NPC1JAK2RAB9APAX8
SCHEMBL4170594 0.91 NPC1 (0.65) TP53NPC1JAK2RAB9APAX8
SCHEMBL4159010 0.91 NPC1 (0.65) TP53NPC1JAK2RAB9APAX8
SCHEMBL4161699 0.91 NPC1 (0.65) TP53NPC1JAK2RAB9APAX8
SCHEMBL2069520 0.90 TP53 (0.70) TP53NPC1JAK2RAB9APAX8
SCHEMBL29266757 0.89 NPC1 (0.75) TP53NPC1JAK2RAB9APAX8

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 1939/4885NPC1 3120/4885JAK2 14/4885

“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.