SCHEMBL2300547

SCHEMBL2300547

O=C(O)CC(c1ccccc1)n1cnc2cc(C(=O)O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.60
FGFR1 P11362 5/20 0.53
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.43
KDM4C Q9H3R0 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
SCHEMBL2293265 0.86 RAB9A (0.48) HCAR3FGFR1HPGDALDH1A1LMNA
SCHEMBL2297233 0.85 HCAR3 (0.55) HCAR3FGFR1HPGDALDH1A1LMNA
SCHEMBL5303602 0.85 FGFR1 (0.47) HCAR3FGFR1HPGDLMNAHSD17B10
SCHEMBL2295849 0.85 FGFR1 (0.47) HCAR3FGFR1HPGDLMNAHSD17B10
SCHEMBL2296208 0.84 HPGD (0.55) HPGDALDH1A1LMNAHSD17B10
SCHEMBL2295674 0.82 NPC1 (0.56) HPGDALDH1A1LMNAHSD17B10
SCHEMBL2293425 0.81 ALDH1A1 (0.53) FGFR1HPGDALDH1A1LMNA
SCHEMBL5300707 0.81 ALDH1A1 (0.53) FGFR1HPGDALDH1A1LMNA
SCHEMBL5290026 0.81 AKR1C3 (0.49) HCAR3HPGDALDH1A1HSD17B10
SCHEMBL2296016 0.81 NPC1 (0.50) HPGDALDH1A1LMNAHSD17B10

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 9 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
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 HCAR3 1471/4885FGFR1 827/4885HPGD 2856/4885

“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.