SCHEMBL5778846

SCHEMBL5778846

CCOC(=O)c1ccncc1NC(=O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 2/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5774221 0.90 KDM4C (0.47) KDM4EMAOBPIM1PIM2
SCHEMBL6162827 0.80 MAOB (0.43) RAB9AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6163659 0.80 PIM1 (0.51) RAB9ATP53ALDH1A1LMNAKDM4E
SCHEMBL6163345 0.79 CA12 (0.46) RAB9AMAOBMEN1KMT2ACA12
SCHEMBL6164397 0.79 PTPN1 (0.50) ALDH1A1MAOBHSD17B10CA12CA2
SCHEMBL6166638 0.78 ACLY (0.44) MAOBCA12CA2CA9
SCHEMBL6163678 0.77 PIM1 (0.49) KDM4EMAPTPIM1PIM2
SCHEMBL6164788 0.77 PIM1 (0.49) KDM4EMAPTPIM1PIM2
SCHEMBL6166691 0.77 MAOB (0.47) RAB9AALDH1A1KDM4EMAOBGAA
SCHEMBL5774430 0.76 MAOB (0.40) RAB9ATP53ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368345-B1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-03-22 EP disclosed
EP-1368345-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-10 EP disclosed
US-6569860-B2 Alkoxycarbonylamino-heteroaryl carboxylic acid derivatives useful for treating the disorders of the urinary tract, pain, inflammation, respiratory states, edema formation, hypotensive vascular diseases, pain and allergies ROćHE PALO ALTO LLC 2003-05-27 US disclosed
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists SYNTEX (USA) LLC 2002-11-14 US disclosed
WO-2002070514-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 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-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists GPBAR1, GCGR, CNR1 RAB9A 1886/4885TP53 2782/4885ALDH1A1 1075/4885

“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.