SCHEMBL4928129

SCHEMBL4928129

NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccncc3)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
ALDH1A1 P00352 1/20 0.65
AKT3 Q9Y243 1/20 0.64
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
POLB P06746 2/20 0.56
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
USP2 O75604 1/20 0.54
BLM P54132 1/20 0.54
NPC1 O15118 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL4929179 0.89 CA2 (0.60) KMT2AMEN1ALDH1A1AKT3CA1
SCHEMBL4931299 0.87 HDAC6 (0.64) ALDH1A1AKT3NPC1HDAC3HDAC4
SCHEMBL4929439 0.85 HDAC2 (0.58) ALDH1A1AKT3NPC1HDAC3HDAC4
SCHEMBL4927704 0.84 AKT3 (0.62) ALDH1A1AKT3NPC1HDAC3HDAC4
SCHEMBL4932455 0.84 AKT3 (0.62) KMT2AMEN1ALDH1A1AKT3NPC1
SCHEMBL4929313 0.84 AKT3 (0.62) AKT3NPC1HDAC3HDAC4HDAC1
SCHEMBL4926727 0.84 NPC1 (0.59) ALDH1A1AKT3POLBNPC1HDAC3
SCHEMBL4923388 0.83 ACKR3 (0.67) AKT3NPC1HDAC3HDAC4HDAC1
SCHEMBL4929057 0.81 ACKR3 (0.57) KMT2AALDH1A1AKT3NPC1HDAC3
SCHEMBL4925690 0.79 ACKR3 (0.57) AKT3HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US claimed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP claimed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP claimed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN KMT2A 4386/4885MEN1 362/4885ALDH1A1 275/4885

“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.