SCHEMBL21998516

SCHEMBL21998516

O[C@H](CS)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.56
CPA3 P15088 1/20 0.55
FOLH1 Q04609 1/20 0.55
TRPA1 O75762 2/20 0.48
CYP1A2 P05177 1/20 0.46
EPHX1 P07099 1/20 0.46
IDO1 P14902 1/20 0.46
MME P08473 5/20 0.46
CTRB1 P17538 1/20 0.46
ACE P12821 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ECE1 P42892 1/20 0.44
BLM P54132 1/20 0.44
NPEPPS P55786 1/20 0.44
KMT2A Q03164 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
SCHEMBL11854652 1.00 ANPEP (0.56) ANPEPCPA3FOLH1TRPA1CYP1A2
SCHEMBL19710215 1.00 ANPEP (0.56) ANPEPCPA3FOLH1TRPA1CYP1A2
Trifluoroacetic Acid SCHEMBL27529792 0.87 CPA3 (0.53) ANPEPCPA3FOLH1TRPA1CYP1A2
SCHEMBL1833635 0.85 TRPA1 (0.55) TRPA1CYP1A2EPHX1
Ammonia Solution, Strong SCHEMBL29021310 0.82 TRPA1 (0.53) TRPA1CYP1A2EPHX1
SCHEMBL3091848 0.80 TRPA1 (0.52) TRPA1CYP1A2EPHX1
SCHEMBL3091836 0.80 TRPA1 (0.52) TRPA1CYP1A2EPHX1
SCHEMBL5105980 0.80 TRPA1 (0.52) CPA3TRPA1CYP1A2EPHX1MAPK1
SCHEMBL25158 0.78 TRPA1 (0.56) TRPA1CYP1A2EPHX1
SCHEMBL2212544 0.78 TRPA1 (0.56) TRPA1CYP1A2EPHX1

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-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 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-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 ANPEP 3824/4885CPA3 1673/4885FOLH1 1988/4885

“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.