SCHEMBL2297569

SCHEMBL2297569

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cc(Cl)ccc3O)cc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 9/20 0.49
P2RX1 P51575 11/20 0.46
P2RX4 Q99571 5/20 0.46
P2RX7 Q99572 5/20 0.46
KCNMA1 Q12791 4/20 0.43
SLC2A1 P11166 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
SCHEMBL2296510 0.94 TMPRSS4 (0.50) TMPRSS4P2RX1P2RX4P2RX7KCNMA1
SCHEMBL2296479 0.91 NPC1 (0.39) TMPRSS4P2RX1
SCHEMBL2295598 0.90 MEN1 (0.43) P2RX1
SCHEMBL2297513 0.89 PLAU (0.41) TMPRSS4P2RX1
SCHEMBL5301320 0.88 PTGS1 (0.49)
SCHEMBL5279323 0.88 OPRL1 (0.37) TMPRSS4
SCHEMBL2297360 0.86 MEN1 (0.44) TMPRSS4P2RX1KCNMA1
SCHEMBL2297522 0.84 RAB9A (0.44) P2RX1
SCHEMBL2295353 0.84 RAB9A (0.45)
SCHEMBL2294746 0.84 PLG (0.43)

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
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed

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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 TMPRSS4 969/4885P2RX1 394/4885P2RX4 513/4885

“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.