SCHEMBL3433980

SCHEMBL3433980

CC(C)(C)c1ccccc1/N=N/c1cc(CC(N)C(=O)O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 9/20 0.52
PTGS1 P23219 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
EGFR P00533 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ALOX15 P16050 1/20 0.52
HTR2A P28223 1/20 0.52
PTGS2 P35354 1/20 0.52
RECQL P46063 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
XIAP P98170 1/20 0.44
NOS3 P29474 4/20 0.44
NOS1 P29475 4/20 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
SCHEMBL27339192 0.83 SLC7A5 (0.60) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL7892985 0.80 SLC7A5 (0.67) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL10656842 0.80 SLC7A5 (0.67) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL29809967 0.80 SLC7A5 (0.67) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL14856009 0.80 SLC7A5 (0.67) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL18403864 0.79 SLC7A5 (0.65) SLC7A5PTGS1KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL7257759 0.79 SLC7A5 (0.65) SLC7A5PTGS1KDM4EUSP2EGFR
Levodopa SCHEMBL1951331 0.76 SLC7A5 (0.66) SLC7A5PTGS1KDM4EUSP2EGFR
Levodopa SCHEMBL27813935 0.76 SLC7A5 (0.66) SLC7A5PTGS1KDM4EUSP2EGFR
SCHEMBL10135632 0.76 SLC7A5 (0.69) SLC7A5PTGS1KDM4EUSP2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 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-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT SLC7A5 1625/4885PTGS1 1703/4885KDM4E 1447/4885

“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.