SCHEMBL13728179

SCHEMBL13728179

N#Cc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.48
▸ SLC22A12 Q96S37 4/20 0.48
▸ CNR2 P34972 1/20 0.45
▸ HSD11B1 P28845 5/20 0.44
▸ HTR6 P50406 2/20 0.43
▸ ABCC9 O60706 2/20 0.43
▸ ABCC8 Q09428 2/20 0.43
▸ KCNJ11 Q14654 2/20 0.43
▸ KCNJ8 Q15842 2/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL22954102 0.83 HTR6 (0.61) NAMPTSLC22A12CNR2HSD11B1HTR6
SCHEMBL13728197 0.77 NAMPT (0.49) NAMPTCNR2HSD11B1HTR6ABCC9
SCHEMBL27955163 0.77 ABCC9 (0.54) NAMPTSLC22A12CNR2HTR6ABCC9
SCHEMBL161866 0.77 CACNA1H (0.53) NAMPTSLC22A12HSD11B1
SCHEMBL6039108 0.76 SLC22A12 (0.48) SLC22A12CNR2HTR6
SCHEMBL26286122 0.75 HSD11B1 (0.51) SLC22A12CNR2HSD11B1ABCC9ABCC8
SCHEMBL163742 0.73 NAMPT (0.49) NAMPTHTR6ABCC9ABCC8KCNJ11
SCHEMBL10646541 0.73 SLC22A12 (0.48) SLC22A12CNR2HTR6
SCHEMBL4074736 0.72 SLC22A12 (0.49) NAMPTSLC22A12HTR6
SCHEMBL11052553 0.71 PARP15 (0.48) NAMPT

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
CN-103717574-B Novel compounds and compositions for the inhibition of nampt 福马TM有限责任公司 2017-02-22 — — CN 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
CN-103717574-A Novel compounds and compositions for the inhibition of nampt FORMA TM LLC 2014-04-09 — — CN 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 1/4885SLC22A12 455/4885CNR2 1365/4885

“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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