SCHEMBL4975602

SCHEMBL4975602

CC(C)(C)OC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.65
PTPRA P18433 1/20 0.65
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 3/20 0.54
ACLY P53396 1/20 0.53
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
PTPRF P10586 1/20 0.49

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
SCHEMBL4979550 0.89 NPSR1 (0.65) PTPN1PTPRANPSR1KMT2AKDM4E
SCHEMBL6534391 0.82 PTPN1 (0.75) PTPN1PTPRANPSR1KMT2AKDM4E
SCHEMBL6311435 0.79 PTPN1 (1.00) PTPN1PTPRANPSR1KMT2AKDM4E
SCHEMBL3076668 0.79 PTPN1 (0.75) PTPN1PTPRANPSR1KMT2AKDM4E
SCHEMBL17226318 0.79 PTPN1 (0.70) PTPN1PTPRANPSR1KMT2AKDM4E
SCHEMBL2157462 0.78 PTPN1 (0.62) PTPN1PTPRANPSR1KMT2AKDM4E
SCHEMBL1752172 0.76 PTPN1 (0.46) PTPN1PTPRANPSR1KMT2AKDM4E
SCHEMBL3607693 0.75 LCK (0.42) PTPN1PTPRF
SCHEMBL668558 0.75 RAF1 (0.49) NPSR1KMT2A
SCHEMBL2157766 0.73 MAPT (0.67) PTPN1PTPRANPSR1KMT2AKDM4E

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 PTPN1 1424/4885PTPRA 676/4885NPSR1 4399/4885

“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.