SCHEMBL15530847

SCHEMBL15530847

NC(=O)c1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.53
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FBP1 P09467 1/20 0.44
CFTR P13569 1/20 0.43
SLC40A1 Q9NP59 1/20 0.42
KMT2A Q03164 1/20 0.42
KAT6A Q92794 1/20 0.41
AKR1C3 P42330 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41

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
SCHEMBL29773105 0.86 CFTR (0.52) NAMPTCYP2C9CFTRKMT2A
SCHEMBL28203528 0.86 CFTR (0.52) NAMPTCYP2C9CFTRKMT2A
SCHEMBL15530698 0.84 NAMPT (0.51) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15231982 0.82 NAMPT (0.56) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15530395 0.81 KMT2A (0.55) NAMPTCYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL16820411 0.80 HTR2A (0.55) NAMPTKMT2AABCC9ABCC8KCNJ11
SCHEMBL29642709 0.77 CFTR (0.53) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19666968 0.77 CFTR (0.53) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15530613 0.76 KMT2A (0.57) NAMPTCYP2C9SLC40A1KMT2AABCC9
SCHEMBL15530287 0.76 KMT2A (0.42) FBP1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 EP claimed
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 EP disclosed
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 US disclosed
US-9458172-B2 Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives VALO HEALTH, INC. 2016-10-04 US disclosed
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Valo Health, LLC 2015-06-25 US disclosed
WO-2013170191-A1 METHODS OF USING ANTAGONISTS OF NAD BIOSYNTHESIS FROM NICOTINAMIDE GENENTECH, INC. (US) 2013-11-14 WO 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-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP NAMPT 82/4885CYP3A4 598/4885CYP2D6 264/4885
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP NAMPT 82/4885CYP3A4 598/4885CYP2D6 264/4885

“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.