SCHEMBL4979550

SCHEMBL4979550

COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.65
KMT2A Q03164 1/20 0.65
KDM4E B2RXH2 9/20 0.61
MAPT P10636 6/20 0.60
TP53 P04637 1/20 0.60
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 1/20 0.52
PTPN1 P18031 1/20 0.51
PTPRA P18433 1/20 0.51
RAF1 P04049 1/20 0.51
MAPK14 Q16539 1/20 0.51
CRHBP P24387 2/20 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
SCHEMBL4975602 0.89 PTPN1 (0.65) NPSR1KMT2AKDM4EMAPTTP53
SCHEMBL1563671 0.83 NPSR1 (0.70) NPSR1KMT2AKDM4EMAPTTP53
SCHEMBL24131393 0.80 NPSR1 (0.77) NPSR1KMT2AKDM4EMAPTTP53
SCHEMBL1563005 0.79 MAPT (0.64) NPSR1KMT2AKDM4EMAPTTP53
SCHEMBL1751714 0.78 MAPT (0.57) NPSR1KMT2AKDM4EMAPTTP53
SCHEMBL4147698 0.78 MAPT (0.67) NPSR1KMT2AKDM4EMAPTTP53
SCHEMBL30531130 0.77 CYP17A1 (0.46) NPSR1KDM4EMAPTTP53NPC1
SCHEMBL2157661 0.76 HPGD (0.84) NPSR1KMT2AKDM4EMAPTTP53
SCHEMBL13912299 0.76 HPGD (0.49) NPSR1KDM4EMAPTTP53ALDH1A1
SCHEMBL101455 0.76 RAF1 (0.42) KDM4EMAPTALDH1A1LMNARAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448545-B1 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP disclosed
US-7166639-B2 NF-κB inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-01-23 US disclosed
EP-1448545-A4 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-01-12 EP disclosed
US-20040192943-A1 Nf-kappab inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1448545-A1 NF-KB INHIBITORS SmithKline Beecham Corporation (US) 2004-08-25 EP disclosed
WO-2003029242-A1 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 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-20040192943-A1 Nf-kappab inhibitors NFKBIA, IKBKB, IKBKG NPSR1 4399/4885KMT2A 2208/4885KDM4E 2149/4885

“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.