SCHEMBL16639771

SCHEMBL16639771

Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.53
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
PDE7A Q13946 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL16639797 0.93 NAMPT (0.55) NAMPTALDH1A1NPSR1KDM4EMAPT
SCHEMBL31327134 0.70 KDM4E (0.54) ALDH1A1NPSR1KDM4EMAPTHPGD
SCHEMBL30167786 0.69 NAMPT (1.00) NAMPTALDH1A1
SCHEMBL12466986 0.69 NAMPT (1.00) NAMPTALDH1A1
SCHEMBL30167834 0.69 NAMPT (1.00) NAMPT
SCHEMBL10280400 0.69 NAMPT (1.00) NAMPT
SCHEMBL15530852 0.69 NAMPT (1.00) NAMPTALDH1A1
SCHEMBL16644176 0.69 ALDH1A1 (0.55) NAMPTALDH1A1NPSR1MAPTHPGD
SCHEMBL31327054 0.68 PDE7A (0.62) PDE7A
SCHEMBL16639764 0.68 KDM4E (0.66) NAMPTALDH1A1KDM4EMAPTHPGD

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 459/4885ALDH1A1 2853/4885NPSR1 635/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885ALDH1A1 2737/4885NPSR1 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.