SCHEMBL13729928

SCHEMBL13729928

NCc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 15/20 0.50
▸ CYP2C9 P11712 1/20 0.47
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL15689567 0.83 MEN1 (0.48) NAMPTCYP2C9
SCHEMBL159152 0.82 HSD11B1 (0.61) CA1CA2CA12CA4CA6
SCHEMBL5034018 0.80 CA1 (0.47) NAMPTCA1CA2CA12CA4
SCHEMBL11835973 0.79 ALDH1A1 (0.52) NAMPTCYP2C9
SCHEMBL27839480 0.77 USP2 (0.61) CA1CA2CA12CA4CA6
SCHEMBL159900 0.76 SMYD3 (0.45) NAMPTCA1CA2CA12CA4
SCHEMBL15689690 0.76 ALDH1A1 (0.54) NAMPT
SCHEMBL29841329 0.75 PKM (0.51) CA1CA2CA12CA4CA9
SCHEMBL26907177 0.75 PKM (0.51) CA1CA2CA12CA4CA9
SCHEMBL6302757 0.74 USP2 (0.68) MAPT

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-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
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 1/4885CYP2C9 1407/4885CA1 3657/4885

“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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