SCHEMBL16639791

SCHEMBL16639791

COCc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(F)c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 3/20 0.47
NAMPT P43490 1/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
FGB P02675 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
PABPC1 P11940 1/20 0.44
PPARG P37231 1/20 0.44
KMT2A Q03164 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 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
SCHEMBL22166400 0.79 KDM4E (0.55) SMN1; SMN2LMNANAMPTALDH1A1
SCHEMBL16639784 0.77 NAMPT (0.65) ALOX15SMN1; SMN2HSD17B10LMNAMAPT
SCHEMBL16639787 0.77 SMN1; SMN2 (0.55) ALOX15SMN1; SMN2HSD17B10LMNAMAPT
SCHEMBL16639799 0.74 SMN1; SMN2 (0.61) ALOX15SMN1; SMN2HSD17B10MAPTNAMPT
SCHEMBL16639757 0.72 RAB9A (0.61) ALOX15SMN1; SMN2HSD17B10LMNAMAPT
SCHEMBL16639779 0.71 SMN1; SMN2 (0.65) ALOX15SMN1; SMN2HSD17B10LMNAMAPK1
SCHEMBL16639772 0.71 NAMPT (0.76) ALOX15SMN1; SMN2HSD17B10LMNANAMPT
SCHEMBL16639782 0.69 NAMPT (0.70) ALOX15SMN1; SMN2HSD17B10LMNANAMPT
SCHEMBL16639783 0.68 NAMPT (0.53) SMN1; SMN2LMNAMAPTNAMPTALDH1A1
SCHEMBL16639768 0.68 CHRM4 (0.70) SMN1; SMN2MAPTNAMPTALDH1A1MEN1

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 ALOX15 230/4885SMN1; SMN2 346/4885HSD17B10 1748/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS ALOX15 228/4885SMN1; SMN2 616/4885HSD17B10 1334/4885

“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.