SCHEMBL16639769

SCHEMBL16639769

CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.51
MAPT P10636 7/20 0.51
TP53 P04637 3/20 0.51
CHRM4 P08173 2/20 0.51
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
THRB P10828 2/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PPARG P37231 2/20 0.48
KMT2A Q03164 2/20 0.48
NCOA2 Q15596 2/20 0.48
NCOA1 Q15788 2/20 0.48
NCOA3 Q9Y6Q9 2/20 0.48
PLEC Q15149 1/20 0.48
LMNA P02545 1/20 0.47
PRNP P04156 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL16639755 0.99 CHRM4 (0.52) NAMPTMAPTTP53CHRM4KDM4E
SCHEMBL16639786 0.91 NAMPT (0.51) NAMPTMAPTTP53CHRM4POLB
SCHEMBL16639777 0.90 THRB (0.54) NAMPTMAPTTP53CHRM4KDM4E
SCHEMBL16639783 0.81 NAMPT (0.53) NAMPTMAPTTP53CHRM4POLB
SCHEMBL16639764 0.76 KDM4E (0.66) NAMPTMAPTTP53KDM4ETHRB
SCHEMBL16639768 0.75 CHRM4 (0.70) NAMPTMAPTCHRM4POLBTHRB
SCHEMBL22166400 0.75 KDM4E (0.55) NAMPTKDM4EGAAALDH1A1LMNA
SCHEMBL31562927 0.69 NAMPT (0.75) NAMPTALDH1A1
SCHEMBL21509479 0.69 CHRM4 (0.58) MAPTTP53CHRM4POLBTHRB
SCHEMBL15246118 0.69 ALDH1A1 (0.54) NAMPTMAPTKDM4ETHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES VALO HEALTH, INC. 2015-04-16 US disclosed
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 (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-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 NAMPT 459/4885MAPT 1118/4885TP53 1915/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885MAPT 2018/4885TP53 2268/4885

“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.