SCHEMBL4975571

SCHEMBL4975571

CC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.62
PTPN1 P18031 1/20 0.58
PTPRA P18433 1/20 0.58
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 6/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
PPARG P37231 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
SCHEMBL1382530 0.89 IKBKB (0.78) IKBKBPTPN1PTPRAMAPTALDH1A1
SCHEMBL6534391 0.87 PTPN1 (0.75) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL6378212 0.87 IKBKB (0.65) IKBKBPTPN1PTPRAMAPTALDH1A1
SCHEMBL4975581 0.86 IKBKB (0.75) IKBKBPTPN1MAPTALDH1A1KDM4E
SCHEMBL12215000 0.84 IKBKB (0.57) IKBKBPTPN1PTPRAMAPTALDH1A1
SCHEMBL2304269 0.84 IKBKB (0.60) IKBKBPTPN1PTPRAMAPTALDH1A1
SCHEMBL5898665 0.81 IKBKB (0.59) IKBKBKMT2AMEN1
SCHEMBL4979048 0.80 KDM4E (0.46) IKBKBPTPN1PTPRAMAPTALDH1A1
SCHEMBL3076668 0.79 PTPN1 (0.75) IKBKBPTPN1PTPRAMAPTKDM4E
SCHEMBL1563671 0.78 NPSR1 (0.70) IKBKBPTPN1PTPRAMAPTALDH1A1

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
EP-1448545-B1 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP claimed
US-7166639-B2 NF-κB inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-01-23 US claimed
EP-1448545-A4 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-01-12 EP claimed
US-20040192943-A1 Nf-kappab inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1448545-A1 NF-KB INHIBITORS SmithKline Beecham Corporation (US) 2004-08-25 EP claimed
WO-2003029242-A1 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO claimed
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 IKBKB 2/4885PTPN1 1424/4885PTPRA 676/4885

“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.