SCHEMBL16631997

SCHEMBL16631997

CC(=O)N1CCC(S(=O)(=O)c2ccc(CN)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.53
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR2 P34972 2/20 0.45
TXNRD1 Q16881 1/20 0.44
CCR5 P51681 1/20 0.43
AKT1 P31749 1/20 0.43
PIK3CA P42336 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL4771639 0.81 CNR2 (0.53) NAMPTCNR2
SCHEMBL17689403 0.81 HTR2A (0.55) NAMPTCNR2TXNRD1AKT1PIK3CA
SCHEMBL15232716 0.80 HTR2A (0.51) NAMPTKDM4ESMN1; SMN2HTR2A
SCHEMBL5755791 0.80 CA1 (0.55) KDM4ESMN1; SMN2HTR2A
SCHEMBL15231711 0.78 HTR2A (0.48) NAMPTCNR2TXNRD1HTR2A
SCHEMBL21878482 0.77 QDPR (0.57)
SCHEMBL160743 0.76 LOXL2 (0.51) NAMPTKDM4ESMN1; SMN2HTR2A
SCHEMBL18711258 0.75 MEN1 (0.50) NAMPTCNR2TXNRD1CCR5AKT1
SCHEMBL15232842 0.75 HTR2A (0.49) NAMPTHTR2A
SCHEMBL14538161 0.75 ALDH1A1 (0.48) NAMPTSMN1; 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 2 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

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 NAMPT 459/4885KDM4E 594/4885SMN1; SMN2 346/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885KDM4E 661/4885SMN1; SMN2 616/4885

“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.