SCHEMBL16639768

SCHEMBL16639768

Cc1cc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2n1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 10/20 0.70
NAMPT P43490 3/20 0.54
MAPT P10636 2/20 0.51
FLT1 P17948 1/20 0.51
LRRK2 Q5S007 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
FGB P02675 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
PABPC1 P11940 1/20 0.51
PPARG P37231 1/20 0.51
KMT2A Q03164 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL16639783 0.87 NAMPT (0.53) CHRM4NAMPTMAPTMEN1ALDH1A1
SCHEMBL16639786 0.84 NAMPT (0.51) CHRM4NAMPTMAPTMEN1ALDH1A1
SCHEMBL16523656 0.83 CHRM4 (1.00) CHRM4MAPTFLT1LRRK2
SCHEMBL16639787 0.78 SMN1; SMN2 (0.55) NAMPTMAPTMEN1ALDH1A1FGB
SCHEMBL16639777 0.78 THRB (0.54) CHRM4NAMPTMAPTALDH1A1POLB
SCHEMBL16523607 0.77 CHRM4 (1.00) CHRM4MAPTFLT1LRRK2
SCHEMBL16523653 0.77 CHRM4 (1.00) CHRM4MAPTFLT1LRRK2
SCHEMBL16523652 0.77 CHRM4 (0.56) CHRM4MAPTMEN1ALDH1A1POLB
SCHEMBL16523646 0.76 CHRM4 (1.00) CHRM4MAPTFLT1LRRK2POLB
SCHEMBL16639755 0.76 CHRM4 (0.52) CHRM4NAMPTMAPTMEN1ALDH1A1

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 3977/4885NAMPT 459/4885MAPT 1118/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS CHRM4 4384/4885NAMPT 759/4885MAPT 2018/4885

“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.