SCHEMBL16639797

SCHEMBL16639797

Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.55
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 3/20 0.47
TP53 P04637 1/20 0.47
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.46
FGB P02675 1/20 0.46
THRB P10828 1/20 0.46
PABPC1 P11940 1/20 0.46
PPARG P37231 1/20 0.46
KMT2A Q03164 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46

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
SCHEMBL16639771 0.93 NAMPT (0.53) NAMPTNPSR1SMN1; SMN2MAPTALDH1A1
SCHEMBL16639784 0.74 NAMPT (0.65) NAMPTNPSR1HTTSMN1; SMN2MAPT
SCHEMBL16639772 0.72 NAMPT (0.76) NAMPTSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL16639781 0.72 TP53 (0.56) NAMPTNPSR1HTTSMN1; SMN2MAPT
SCHEMBL15246140 0.71 NAMPT (1.00) NAMPT
SCHEMBL16639767 0.71 ALDH1A1 (0.65) NAMPTHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL16644215 0.71 F2 (0.58) NAMPTSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL853909 0.71 MAPT (0.65) HTTSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL16639782 0.70 NAMPT (0.70) NAMPTSMN1; SMN2KMT2ALMNA
SCHEMBL853908 0.70 PDE7A (0.83)

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 NAMPT 459/4885NPSR1 635/4885HTT 298/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885NPSR1 1004/4885HTT 788/4885

“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.