SCHEMBL996355

SCHEMBL996355

Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.74
▸ SLC2A1 P11166 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ HTT P42858 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ TRPV1 Q8NER1 1/20 0.56

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
SCHEMBL12078263 0.92 NAMPT (0.74) NAMPTSLC2A1TSHRALDH1A1TRPV1
SCHEMBL996338 0.90 TSHR (0.67) NAMPTSLC2A1TSHRHTTSMN1; SMN2
SCHEMBL12077893 0.89 NAMPT (0.73) NAMPTSLC2A1ALDH1A1TP53TRPV1
SCHEMBL12078248 0.85 NAMPT (1.00) NAMPTSLC2A1ALDH1A1TRPV1
SCHEMBL12093321 0.85 NAMPT (0.70) NAMPTSLC2A1RAB9ATRPV1
SCHEMBL996405 0.85 NAMPT (0.79) NAMPTSLC2A1ALDH1A1RAB9ATRPV1
SCHEMBL12079158 0.85 NAMPT (0.79) NAMPTSLC2A1HTTSMN1; SMN2ALDH1A1
SCHEMBL12077786 0.85 NAMPT (0.82) NAMPTSLC2A1ALDH1A1TRPV1
SCHEMBL11299056 0.84 NAMPT (0.71) NAMPTSLC2A1TSHRTRPV1
SCHEMBL12078385 0.83 NAMPT (0.77) NAMPTSLC2A1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 — — US claimed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 — — US claimed
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 — — WO claimed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 — — EP claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 — — WO claimed
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 — — US disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 — — EP disclosed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 — — US disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 — — US disclosed
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 — — WO disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 — — EP disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 — — 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-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS NAMPT 624/4885SLC2A1 4252/4885TSHR 3930/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 NAMPT 601/4885SLC2A1 1/4885TSHR 3196/4885

“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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