SCHEMBL5774221

SCHEMBL5774221

O=C(Nc1cnccc1C(=O)O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 18/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47
▸ PIM1 P11309 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ KDM6B O15054 7/20 0.43
▸ KDM4D Q6B0I6 6/20 0.43
▸ EGLN3 Q9H6Z9 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ KDM4A O75164 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM5C P41229 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
SCHEMBL5778846 0.90 RAB9A (0.43) PIM1PIM2KDM4EMAOB
SCHEMBL6163345 0.89 CA12 (0.46) MAOB
SCHEMBL6166638 0.88 ACLY (0.44) MAOB
SCHEMBL6164397 0.87 PTPN1 (0.50) MAOB
SCHEMBL6166691 0.84 MAOB (0.47) KDM4EMAOB
SCHEMBL6163678 0.84 PIM1 (0.49) PIM1PIM2KDM4E
SCHEMBL6164788 0.84 PIM1 (0.49) PIM1PIM2KDM4E
SCHEMBL6163659 0.83 PIM1 (0.51) PIM1PIM2KDM4EMAOB
SCHEMBL6622607 0.83 HCAR2 (0.47) PIM1KDM4EMAOB
SCHEMBL6163347 0.83 TRPM2 (0.48) PIM1KDM4EMAOB

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 13 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 claimed
EP-1368345-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-10 — — EP claimed
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 claimed
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists SYNTEX (USA) LLC 2002-11-14 — — US claimed
WO-2002070514-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 — — WO claimed
US-20060171945-A1 Ip receptor antagonists for the treatment of pathological uterine conditions UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH, THE (GB) 2006-08-03 — — US disclosed
EP-1368345-B1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-03-22 — — EP disclosed
EP-1596858-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS Medical Research Council (GB) 2005-11-23 — — EP disclosed
WO-2004071508-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS MEDICAL RESEARCH COUNCIL (GB) 2004-08-26 — — WO 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 KDM4C 4438/4885KDM5B 3869/4885PIM1 2605/4885

“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.

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