SCHEMBL13729582

SCHEMBL13729582

Nc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ KMT2A Q03164 4/20 0.50
▸ NAMPT P43490 2/20 0.50
▸ POLB P06746 1/20 0.48
▸ PTGES2 Q9H7Z7 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL158377 0.85 NAMPT (0.53) KMT2ANAMPTPOLBPTGES2MEN1
SCHEMBL13728356 0.82 CYP19A1 (0.54) CA2CA9KMT2ANAMPTPOLB
SCHEMBL161866 0.82 CACNA1H (0.53) NAMPT
SCHEMBL2246137 0.81 POLB (0.70) CA1CA2CA9KMT2APOLB
SCHEMBL29561446 0.78 AVPR2 (0.55) KMT2ANAMPTMEN1TSHR
SCHEMBL4347737 0.78 KMT2A (0.68) CA1CA2CA9KMT2APTGES2
SCHEMBL15122437 0.77 LMNA (0.65) KMT2AMEN1GAATSHR
SCHEMBL10874195 0.77 CA1 (0.55) CA1CA2CA9KMT2APOLB
SCHEMBL7090449 0.75 CA1 (0.64) CA1CA2CA9KMT2AKEAP1
SCHEMBL13011374 0.75 KIF11 (0.47) KMT2APTGES2KEAP1GAA

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 CA1 3657/4885CA2 2065/4885CA9 1967/4885

“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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