SCHEMBL16644250

SCHEMBL16644250

CCN(CCCS(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 0.66
▸ CYP2C9 P11712 3/20 0.66
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56

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
SCHEMBL170973 0.83 NAMPT (0.75) NAMPTCYP2C9
SCHEMBL12468034 0.82 NAMPT (0.74) NAMPTCYP2C9
SCHEMBL173312 0.81 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL170901 0.80 NAMPT (0.77) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL174840 0.80 NAMPT (0.80) NAMPTCYP2C9HDAC1
SCHEMBL168504 0.80 NAMPT (0.83) NAMPTCYP2C9
SCHEMBL160762 0.78 NAMPT (0.80) NAMPTCYP2C9
SCHEMBL12468236 0.78 NAMPT (0.84) NAMPTCYP2C9
SCHEMBL173943 0.78 NAMPT (0.94) NAMPTCYP2C9
SCHEMBL24859169 0.77 NAMPT (0.67) NAMPTCYP2C9

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-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES VALO HEALTH, INC. 2015-04-16 — — 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-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885CYP2C9 211/4885HDAC3 425/4885

“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.

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