SCHEMBL13728197

SCHEMBL13728197

NCc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.49
▸ CNR2 P34972 2/20 0.45
▸ PTGDR2 Q9Y5Y4 2/20 0.44
▸ HTR6 P50406 4/20 0.43
▸ ABCC9 O60706 1/20 0.43
▸ ABCC8 Q09428 1/20 0.43
▸ KCNJ11 Q14654 1/20 0.43
▸ KCNJ8 Q15842 1/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL22954102 0.83 HTR6 (0.61) NAMPTCNR2PTGDR2HTR6ABCC9
SCHEMBL13728179 0.77 NAMPT (0.48) NAMPTCNR2PTGDR2HTR6ABCC9
SCHEMBL27955163 0.77 ABCC9 (0.54) NAMPTCNR2PTGDR2HTR6ABCC9
SCHEMBL158377 0.77 NAMPT (0.53) NAMPTPTGDR2HTR6SLC40A1
SCHEMBL27827989 0.75 CA1 (0.53) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL160312 0.74 NAMPT (0.51) NAMPTHTR6ABCC9ABCC8KCNJ11
SCHEMBL29469931 0.73 PTGES2 (0.55) HTR6CA1CA2CA12CA4
SCHEMBL692280 0.73 PTGES2 (0.55) HTR6CA1CA2CA12CA4
SCHEMBL28299082 0.72 HSD11B1 (0.51) NAMPTHTR6ABCC9ABCC8KCNJ11
SCHEMBL28263610 0.72 CA1 (0.49) HTR6ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 — — US disclosed
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 — — US disclosed
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 — — US disclosed
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2014-09-18 — — US disclosed
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2014-09-18 — — US disclosed
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2014-09-18 — — US disclosed
WO-2012150952-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2012-11-08 — — WO disclosed
WO-2012150952-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2012-11-08 — — 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 (1 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-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NAPRT NAMPT 1/4885CNR2 1365/4885PTGDR2 2984/4885

“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.

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