SCHEMBL15530698

SCHEMBL15530698

COc1cccc(S(=O)(=O)c2ccc(C(N)=O)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.51
PDE4B Q07343 8/20 0.50
MTNR1B P49286 1/20 0.48
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
APP P05067 1/20 0.46
PARP1 P09874 1/20 0.46
NFE2L2 Q16236 3/20 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
SCHEMBL15530847 0.84 NAMPT (0.53) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15530718 0.83 MAPK1 (0.61) NAMPTPDE4BAPP
SCHEMBL15531384 0.81 NAMPT (0.51) NAMPTPDE4B
SCHEMBL15530700 0.81 NAMPT (0.54) NAMPTPDE4BMTNR1BABCC9ABCC8
SCHEMBL16820411 0.80 HTR2A (0.55) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15231829 0.79 HTR6 (0.47) NAMPTPDE4BABCC9ABCC8KCNJ11
SCHEMBL6110277 0.79 NFE2L2 (0.50) NAMPTPDE4BMTNR1BABCC9ABCC8
SCHEMBL6110207 0.79 NFE2L2 (0.53) NAMPTMTNR1BNFE2L2
SCHEMBL15530395 0.77 KMT2A (0.55) NAMPT
SCHEMBL31352975 0.77 MTNR1B (0.56) MTNR1BABCC9ABCC8KCNJ11KCNJ8

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 82/4885PDE4B 1809/4885MTNR1B 1098/4885
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP NAMPT 82/4885PDE4B 1809/4885MTNR1B 1098/4885

“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.