SCHEMBL16639774

SCHEMBL16639774

Cn1cnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.63
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
PPARG P37231 2/20 0.60
KMT2A Q03164 2/20 0.60
NCOA2 Q15596 2/20 0.60
NCOA1 Q15788 2/20 0.60
NCOA3 Q9Y6Q9 2/20 0.60
PRNP P04156 1/20 0.60
THRB P10828 1/20 0.60
RECQL P46063 1/20 0.60
PLEC Q15149 1/20 0.59
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL12466816 0.78 NAMPT (0.87) NAMPTALDH1A1MAPTHPGD
SCHEMBL30167626 0.78 NAMPT (0.87) NAMPTALDH1A1MAPTHPGD
SCHEMBL10354572 0.78 HSD17B10 (0.55) ALDH1A1KDM4EMEN1KMT2ATHRB
SCHEMBL12466805 0.77 NAMPT (1.00) NAMPTALDH1A1KDM4EMAPTHPGD
SCHEMBL16644235 0.75 NAMPT (0.64) NAMPTALDH1A1KDM4EMEN1MAPT
SCHEMBL16644236 0.74 NAMPT (0.74) NAMPTALDH1A1MAPTHPGD
SCHEMBL5697256 0.74 MMP13 (0.78) NAMPTALDH1A1GAAL3MBTL1
SCHEMBL16639789 0.74 NAMPT (0.67) NAMPTALDH1A1MEN1MAPTPPARG
SCHEMBL27312618 0.74 ALDH1A1 (0.88) NAMPTALDH1A1KDM4EGAAHPGD
SCHEMBL31562929 0.74 TP53 (0.53) NAMPTMEN1MAPTKMT2ATHRB

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 2853/4885KDM4E 594/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885ALDH1A1 2737/4885KDM4E 661/4885

“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.