SCHEMBL16639767

SCHEMBL16639767

CC1CCc2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
LMNA P02545 4/20 0.65
GAA P10253 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
NAMPT P43490 1/20 0.56
GPR55 Q9Y2T6 7/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.52
CNR1 P21554 3/20 0.51
PRNP P04156 1/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL15246194 0.79 ALDH1A1 (0.62) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL16639772 0.75 NAMPT (0.76) ALDH1A1LMNAMAPK1SMN1; SMN2MEN1
SCHEMBL16639784 0.75 NAMPT (0.65) LMNAMAPK1HTTSMN1; SMN2MAPT
SCHEMBL16639782 0.73 NAMPT (0.70) LMNASMN1; SMN2KMT2ANAMPTHSD17B10
SCHEMBL15246140 0.72 NAMPT (1.00) NAMPT
SCHEMBL3211372 0.72 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EMEN1MAPT
SCHEMBL16639797 0.71 NAMPT (0.55) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL16639787 0.69 SMN1; SMN2 (0.55) ALDH1A1LMNAKDM4EMAPK1HTT
SCHEMBL16639789 0.68 NAMPT (0.67) ALDH1A1LMNAMAPK1MEN1MAPT
SCHEMBL16639765 0.68 NAMPT (0.62) ALDH1A1LMNAMAPK1HTTSMN1; SMN2

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 ALDH1A1 2853/4885LMNA 3203/4885GAA 1180/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS ALDH1A1 2737/4885LMNA 3476/4885GAA 1131/4885

“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.