SCHEMBL16639787

SCHEMBL16639787

Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NAMPT P43490 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
FGB P02675 1/20 0.51
MAPT P10636 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

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
SCHEMBL16639764 0.90 KDM4E (0.66) SMN1; SMN2NAMPTKDM4EALDH1A1TP53
SCHEMBL16639772 0.79 NAMPT (0.76) SMN1; SMN2NAMPTMAPK1ALOX15HSD17B10
SCHEMBL16639798 0.79 SMN1; SMN2 (0.78) SMN1; SMN2HTTNPSR1KDM4EMAPK1
SCHEMBL16639784 0.79 NAMPT (0.65) SMN1; SMN2HTTNPSR1NAMPTMAPK1
SCHEMBL16639783 0.79 NAMPT (0.53) SMN1; SMN2HTTNPSR1NAMPTPOLB
SCHEMBL16639768 0.78 CHRM4 (0.70) SMN1; SMN2HTTNPSR1NAMPTPOLB
SCHEMBL16639791 0.77 ALOX15 (0.50) SMN1; SMN2NAMPTMAPK1ALOX15HSD17B10
SCHEMBL22166400 0.77 KDM4E (0.55) SMN1; SMN2NAMPTKDM4EALDH1A1LMNA
SCHEMBL16639757 0.77 RAB9A (0.61) SMN1; SMN2NAMPTMAPK1ALOX15HSD17B10
SCHEMBL16639786 0.77 NAMPT (0.51) SMN1; SMN2HTTNPSR1NAMPTPOLB

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 SMN1; SMN2 346/4885HTT 298/4885NPSR1 635/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS SMN1; SMN2 616/4885HTT 788/4885NPSR1 1004/4885

“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.