SCHEMBL16639755

SCHEMBL16639755

CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.52
MAPT P10636 8/20 0.51
POLB P06746 2/20 0.51
GAA P10253 2/20 0.51
NAMPT P43490 3/20 0.50
TP53 P04637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
THRB P10828 2/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
PPARG P37231 2/20 0.47
KMT2A Q03164 2/20 0.47
NCOA2 Q15596 2/20 0.47
NCOA1 Q15788 2/20 0.47
NCOA3 Q9Y6Q9 2/20 0.47
PRNP P04156 1/20 0.47
RECQL P46063 1/20 0.47
PLEC Q15149 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
SCHEMBL16639769 0.99 NAMPT (0.51) CHRM4MAPTPOLBGAANAMPT
SCHEMBL16639786 0.92 NAMPT (0.51) CHRM4MAPTPOLBGAANAMPT
SCHEMBL16639777 0.89 THRB (0.54) CHRM4MAPTPOLBGAANAMPT
SCHEMBL16639783 0.82 NAMPT (0.53) CHRM4MAPTPOLBGAANAMPT
SCHEMBL16639768 0.76 CHRM4 (0.70) CHRM4MAPTPOLBNAMPTTHRB
SCHEMBL22166400 0.75 KDM4E (0.55) GAANAMPTKDM4ELMNAALDH1A1
SCHEMBL16639764 0.74 KDM4E (0.66) MAPTGAANAMPTTP53KDM4E
SCHEMBL21509479 0.69 CHRM4 (0.58) CHRM4MAPTPOLBGAATP53
SCHEMBL16523656 0.68 CHRM4 (1.00) CHRM4MAPTTP53
SCHEMBL15246125 0.68 ALDH1A1 (0.54) MAPTNAMPTKDM4ETHRBALDH1A1

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 CHRM4 3977/4885MAPT 1118/4885POLB 4094/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS CHRM4 4384/4885MAPT 2018/4885POLB 4160/4885

“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.