SCHEMBL6370461

SCHEMBL6370461

O=C(NC(Cc1ccc(Cl)cc1)C(=O)O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 2/20 0.47
FTO Q9C0B1 2/20 0.46
CDK2 P24941 1/20 0.46
FPR2 P25090 1/20 0.45
PTPN1 P18031 3/20 0.44
KIFC1 Q9BW19 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MCL1 Q07820 1/20 0.44
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
CA2 P00918 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CNR1 P21554 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL6373410 1.00 ERAP1 (0.47) ERAP1FTOCDK2FPR2PTPN1
SCHEMBL6372026 0.92 CDK2 (0.53) ERAP1FTOCDK2KIFC1PDK1
SCHEMBL6366063 0.88 ERAP1 (0.48) ERAP1FTOCDK2FPR2PTPN1
SCHEMBL6365922 0.88 CDK2 (0.45) ERAP1FTOCDK2FPR2PTPN1
SCHEMBL6365927 0.88 CDK2 (0.45) ERAP1FTOCDK2FPR2PTPN1
SCHEMBL6365428 0.88 GCGR (0.40) ERAP1FTOCDK2CA2
SCHEMBL6371221 0.88 CDK2 (0.42) ERAP1FTOCDK2FPR2PTPN1
SCHEMBL6372140 0.86 FTO (0.42) ERAP1FTOCDK2FPR2PTPN1
SCHEMBL6365501 0.83 FTO (0.47) ERAP1FTOPTPN1PDK1PDK2
SCHEMBL6366079 0.82 PTPN1 (0.44) CDK2FPR2PTPN1KIFC1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272784-A1 Inhibitors of bacterial Type III protein secretion systems LI XIAOBING 2005-12-08 US disclosed
WO-2005113522-A1 AZOLE CARBOXAMIDE INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-12-01 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-20050272784-A1 Inhibitors of bacterial Type III protein secretion systems GBA3, PSMB3, SEC61B ERAP1 239/4885FTO 4883/4885CDK2 4135/4885

“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.