SCHEMBL7449663

SCHEMBL7449663

N=N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
CPA1 P15085 5/20 0.48
CPA3 P15088 3/20 0.48
FOLH1 Q04609 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
SRR Q9GZT4 2/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MDM2 Q00987 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL7449656 1.00 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP
Succinic Acid SCHEMBL16637614 0.93 CPA3 (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL3162797 0.85 SLC7A5 (0.55) SLC7A5FOLH1
SCHEMBL3259407 0.85 SLC7A5 (0.55) SLC7A5FOLH1
Citric Acid SCHEMBL16636424 0.84 LMNA (0.45) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL17847311 0.83 CYP2C9 (0.44) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4655391 0.82 CYP1A2 (0.57) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6256923 0.82 CYP1A2 (0.57) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL8201005 0.82 CYP1A2 (0.57) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL22651739 0.80 MIF (0.58) HSD17B10PPARGPPARA

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-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
EP-0728132-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1996-08-28 EP disclosed
WO-1995013274-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LIMITED (GB) 1995-05-18 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-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN CYP1A2 2696/4885ALPI 2406/4885PKM 1840/4885

“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.