SCHEMBL996338

SCHEMBL996338

Cc1ccc(C)c(S(=O)(=O)NCc2cccc(C(=O)Nc3cccnc3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.67
▸ NAMPT P43490 6/20 0.61
▸ BRAF P15056 2/20 0.56
▸ KCNJ1 P48048 1/20 0.55
▸ SLC2A1 P11166 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ HTT P42858 3/20 0.54
▸ MAPT P10636 3/20 0.53
▸ TP53 P04637 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPC1 O15118 1/20 0.51

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
SCHEMBL996355 0.90 NAMPT (0.74) TSHRNAMPTSLC2A1SMN1; SMN2HTT
SCHEMBL998913 0.85 NAMPT (0.64) NAMPTBRAFSLC2A1SMN1; SMN2HTT
SCHEMBL11303710 0.84 TSHR (0.65) TSHRNAMPTBRAFSLC2A1SMN1; SMN2
SCHEMBL12078263 0.82 NAMPT (0.74) TSHRNAMPTSLC2A1ALDH1A1
SCHEMBL1078986 0.82 NAMPT (0.78) NAMPTSLC2A1SMN1; SMN2HTTMAPT
SCHEMBL12077633 0.81 NAMPT (0.82) NAMPTSLC2A1SMN1; SMN2HTTMAPT
SCHEMBL997595 0.81 CYP11B1 (0.54) NAMPTSLC2A1SMN1; SMN2HTTMAPT
SCHEMBL12077893 0.79 NAMPT (0.73) NAMPTSLC2A1TP53ALDH1A1
SCHEMBL30926526 0.78 NAMPT (0.72) NAMPTKCNJ1MAPTTP53ALDH1A1
SCHEMBL27179858 0.78 NAMPT (0.72) NAMPTKCNJ1MAPTTP53ALDH1A1

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 TSHR 3930/4885NAMPT 624/4885BRAF 567/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 TSHR 3196/4885NAMPT 601/4885BRAF 671/4885

“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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