SCHEMBL20233602

SCHEMBL20233602

CC(C)(C)C(=O)NCc1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.48
HDAC6 Q9UBN7 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NOS2 P35228 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
SCHEMBL25593244 0.84 POLB (0.45) NOS2
SCHEMBL17251486 0.81 NAMPT (0.50) NAMPTNOS2
SCHEMBL18632887 0.81 L3MBTL1 (0.49) NAMPTNOS2
SCHEMBL17293023 0.79 NAMPT (0.51) NAMPTNOS2
SCHEMBL20379406 0.77 RECQL (0.49) NAMPTNOS2
SCHEMBL9645727 0.75 NAMPT (0.46) NAMPTNOS2
SCHEMBL20671969 0.74 NAMPT (0.52) NAMPTHDAC6
SCHEMBL19318512 0.74 HDAC6 (0.50) NAMPTHDAC6CA1CA2CA7
SCHEMBL20233520 0.74 HDAC6 (0.50) HDAC6CA1CA2CA7CA14
SCHEMBL26077315 0.73 NAMPT (0.45) NAMPTNOS2

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-10173980-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-01-08 US disclosed
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-06-07 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 (2 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-10173980-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof TST, TXN, TXNRD2 NAMPT 710/4885HDAC6 281/4885CA1 3057/4885
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF TST, TXN, TXNRD2 NAMPT 710/4885HDAC6 281/4885CA1 3057/4885

“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.