SCHEMBL4975581

SCHEMBL4975581

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.75
CHUK O15111 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTPN1 P18031 1/20 0.58
MEN1 O00255 1/20 0.56
JAK2 O60674 1/20 0.56
EIF2AK2 P19525 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 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
SCHEMBL1381722 0.89 IKBKB (0.76) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL4975571 0.86 IKBKB (0.62) IKBKBPTPN1MEN1KMT2AKDM4E
SCHEMBL5898645 0.81 IKBKB (0.80) IKBKBMEN1JAK2EIF2AK2KMT2A
SCHEMBL4975594 0.80 IKBKB (0.52) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL3618767 0.80 IKBKB (0.61) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL7054758 0.78 KDM4E (0.70) IKBKBPTPN1MEN1KMT2AKDM4E
SCHEMBL4091841 0.76 IKBKB (1.00) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL4086105 0.75 IKBKB (0.78) IKBKBCYP1A2CYP3A4CYP2C9PTPN1
SCHEMBL2157899 0.75 NPSR1 (0.81) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL1385004 0.75 IKBKB (1.00) IKBKBPTPN1KDM4EALDH1A1LMNA

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 2/4885CHUK 8/4885CYP1A2 3982/4885

“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.