SCHEMBL9942595

SCHEMBL9942595

CCCC(=O)N(C)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.44
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR3C1 P04150 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 2/20 0.39
ADORA2A P29274 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL30088848 0.90 ALDH1A1 (0.43) FFAR2ALDH1A1RAB9AKDM4ETP53
SCHEMBL13545685 0.86 FFAR2 (0.46) FFAR2ALDH1A1RAB9ANR3C1SMN1; SMN2
SCHEMBL22481561 0.81 FFAR2 (0.48) FFAR2ALDH1A1RAB9AKDM4ENR3C1
SCHEMBL2936251 0.80 FFAR2 (0.49) FFAR2ALDH1A1RAB9ANR3C1SMN1; SMN2
SCHEMBL972961 0.79 FFAR2 (0.43) FFAR2ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL18969622 0.79 FFAR2 (0.43) FFAR2ALDH1A1NR3C1PKMADORA2A
SCHEMBL1769367 0.78 FFAR2 (0.41) FFAR2RAB9ANR3C1SMN1; SMN2TRPM8
SCHEMBL27872473 0.78 FFAR2 (0.41) FFAR2RAB9ANR3C1SMN1; SMN2TRPM8
SCHEMBL14591145 0.77 FFAR2 (0.49) FFAR2ALDH1A1RAB9AKDM4ENR3C1
SCHEMBL18939373 0.76 LMNA (0.55) ALDH1A1RAB9ATP53SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 US disclosed
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2021-03-11 US disclosed
EP-1363705-B9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-11-07 EP disclosed
EP-1363705-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-06-13 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 (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-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP FFAR2 124/4885ALDH1A1 3849/4885RAB9A 749/4885
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP FFAR2 124/4885ALDH1A1 3849/4885RAB9A 749/4885

“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.