SCHEMBL12077633

SCHEMBL12077633

CC(C)(C)c1ccc(S(=O)(=O)NCc2cccc(C(=O)Nc3cccnc3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.82
▸ SLC2A1 P11166 1/20 0.82
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 1/20 0.54

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
SCHEMBL12078275 0.90 NAMPT (1.00) NAMPTSLC2A1NPC1RAB9AMEN1
SCHEMBL1078986 0.88 NAMPT (0.78) NAMPTSLC2A1MEN1KMT2AMAPT
SCHEMBL998913 0.85 NAMPT (0.64) NAMPTSLC2A1NPC1RAB9AMEN1
SCHEMBL1043110 0.85 NAMPT (0.76) NAMPTSLC2A1NPC1RAB9AMEN1
SCHEMBL11300274 0.85 NAMPT (0.79) NAMPTSLC2A1NPC1RAB9AMEN1
SCHEMBL1048408 0.84 NAMPT (0.75) NAMPTSLC2A1NPC1RAB9AMEN1
SCHEMBL1049301 0.84 NAMPT (0.75) NAMPTSLC2A1NPC1RAB9AMEN1
SCHEMBL11306726 0.82 NAMPT (0.71) NAMPTSLC2A1NPC1RAB9AMEN1
SCHEMBL996338 0.81 TSHR (0.67) NAMPTSLC2A1NPC1MEN1KMT2A
SCHEMBL11303710 0.80 TSHR (0.65) NAMPTSLC2A1NPC1MEN1KMT2A

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-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 — — US claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 — — EP claimed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 — — US claimed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 — — US 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

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 4252/4885NPC1 2057/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 NAMPT 601/4885SLC2A1 1/4885NPC1 422/4885

“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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