SCHEMBL2297233

SCHEMBL2297233

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.55
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
FGFR1 P11362 3/20 0.46
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PPARG P37231 5/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2293615 0.88 RAB9A (0.45) HCAR3ALDH1A1FGFR1PPARG
SCHEMBL2292935 0.87 ALDH1A1 (0.52) HCAR3HPGDALDH1A1LMNAFGFR1
SCHEMBL12380647 0.87 HSD17B10 (0.50) HPGDALDH1A1LMNAKDM4EHTT
SCHEMBL2300547 0.85 HCAR3 (0.60) HCAR3HPGDALDH1A1LMNAFGFR1
SCHEMBL2296414 0.83 MAPT (0.44) ALDH1A1LMNAKDM4EHTTHSD17B10
SCHEMBL2294150 0.82 NPC1 (0.48) ALDH1A1LMNAKDM4EHTT
SCHEMBL2292529 0.81 ALDH1A1 (0.52) HPGDALDH1A1LMNAKDM4EHTT
SCHEMBL2292402 0.81 KDM4E (0.46) HPGDALDH1A1LMNAKDM4EHTT
SCHEMBL2299707 0.80 NPC1 (0.46) LMNA
SCHEMBL2292946 0.80 SLC6A7 (0.49) HPGDALDH1A1KDM4E

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 6 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 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

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 1471/4885HPGD 2856/4885ALDH1A1 1381/4885

“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.