SCHEMBL6571964

SCHEMBL6571964

CC(C)(C)OC(=O)Nc1cccc(Cc2cc([N+](=O)[O-])ccc2OC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 2/20 0.49
PPARG P37231 1/20 0.45
GNRHR P30968 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX5 P09917 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL6571961 1.00 MMP1 (0.49) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13622532 0.82 GNRHR (0.55) MMP1MMP2MMP9MMP8MMP13
SCHEMBL9419894 0.81 MAPT (0.41) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13622743 0.79 MMP1 (0.51) MMP1MMP2MMP9MMP8MMP13
SCHEMBL48069 0.79 CYP19A1 (0.49) ITGA4ITGB7ALDH1A1SMN1; SMN2GAA
SCHEMBL48068 0.79 CYP19A1 (0.49) ITGA4ITGB7ALDH1A1SMN1; SMN2GAA
SCHEMBL3222110 0.77 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2ALOX5SIRT2MAPT
SCHEMBL31135773 0.77 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2ALOX5SIRT2MAPT
SCHEMBL3033527 0.77 MEN1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTNPC1
SCHEMBL13623192 0.77 MEN1 (0.50) MMP1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140980-B1 PSEUDOPEPTIDE COMPOUNDS HAVING AN INHIBITING ACTIVITY WITH RESPECT TO PATHS ACTIVATED BY PROTEINS WITH ACTIVE TYROSINE KINASE ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INST NAT SANTE RECH MED (FR) 2004-09-29 EP disclosed
US-20020055463-A1 Pseudopeptide compounds having an inhibiting activity with respect to paths activated by proteins with active tyrosine kinase activity and pharmaceutical compositions containing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2002-05-09 US disclosed
EP-1140980-A1 PSEUDOPEPTIDE COMPOUNDS HAVING AN INHIBITING ACTIVITY WITH RESPECT TO PATHS ACTIVATED BY PROTEINS WITH ACTIVE TYROSINE KINASE ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2001-10-10 EP disclosed
WO-2000039153-A1 PSEUDOPEPTIDE COMPOUNDS HAVING AN INHIBITING ACTIVITY WITH RESPECT TO PATHS ACTIVATED BY PROTEINS WITH ACTIVE TYROSINE KINASE ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE INSERM (FR) 2000-07-06 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-20020055463-A1 Pseudopeptide compounds having an inhibiting activity with respect to paths activated by proteins with active tyrosine kinase activity and pharmaceutical compositions containing same ERBB2, CCNC, CDK1 MMP1 1841/4885MMP2 392/4885MMP9 378/4885

“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.