SCHEMBL6372140

SCHEMBL6372140

Cn1cc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2C(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.42
ITGA4 P13612 7/20 0.41
ITGB7 P26010 7/20 0.41
ITGB1 P05556 6/20 0.41
CDK2 P24941 1/20 0.41
ERAP1 Q9NZ08 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 2/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
FPR2 P25090 1/20 0.38
PTPN1 P18031 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL6370461 0.86 ERAP1 (0.47) FTOITGA4ITGB1CDK2ERAP1
SCHEMBL6373410 0.86 ERAP1 (0.47) FTOITGA4ITGB1CDK2ERAP1
SCHEMBL6365738 0.85 ACE (0.42) FTOPTPN1PPARGPPARDPPARA
SCHEMBL6365732 0.85 ACE (0.42) FTOPTPN1PPARGPPARDPPARA
SCHEMBL6370495 0.85 MCL1 (0.39) CDK2MCL1PTPN1PPARGPPARD
SCHEMBL6370489 0.85 MCL1 (0.39) CDK2MCL1PTPN1PPARGPPARD
SCHEMBL6372026 0.80 CDK2 (0.53) FTOITGA4ITGB7ITGB1CDK2
SCHEMBL6365927 0.80 CDK2 (0.45) FTOITGA4ITGB1CDK2ERAP1
SCHEMBL6366063 0.80 ERAP1 (0.48) FTOITGA4ITGB7ITGB1CDK2
SCHEMBL6365922 0.80 CDK2 (0.45) FTOITGA4ITGB1CDK2ERAP1

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 FTO 4883/4885ITGA4 4623/4885ITGB7 4604/4885

“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.