SCHEMBL4167928

SCHEMBL4167928

COc1ccc(-c2c[c]cc3oc(=O)[nH]c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
NOTUM Q6P988 1/20 0.42
MAOB P27338 4/20 0.40
EGFR P00533 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NOD2 Q9HC29 1/20 0.39
MEN1 O00255 1/20 0.39
MIF P14174 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
MAP2K1 Q02750 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL17260649 0.69 PDE3B (0.63) NOTUMMAOBEGFRRXFP1KMT2A
SCHEMBL17260662 0.69 PDE3B (0.63) NOTUMEGFRKMT2ANPC1RAB9A
SCHEMBL17261329 0.67 ADORA3 (0.46) ERCC5FEN1NOTUMEGFRKMT2A
SCHEMBL27475241 0.66 ABL1 (0.43) KMT2ACA1CA2MAPTHDAC4
SCHEMBL3849115 0.66 MCL1 (0.47) GRM5
SCHEMBL3099432 0.66 NOTUM (0.49) NOTUMEGFRKMT2ANPC1RAB9A
SCHEMBL15320224 0.64 KMO (0.46) LMNAGRM5
Coixol SCHEMBL29389732 0.64 NOS1 (0.61) MAOBKMT2ANPC1RAB9AMEN1
SCHEMBL29447076 0.64 NOS1 (0.61) MAOBNPC1RAB9ACA1ALDH1A1
SCHEMBL244237 0.64 NOS1 (0.61) MAOBNPC1RAB9ACA1ALDH1A1

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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 ERCC5 3899/4885FEN1 3784/4885NOTUM 4367/4885

“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.