SCHEMBL6556709

SCHEMBL6556709

CCCCCCOC(=O)NC(=N)c1cccc(C(CC(=O)OCC)NC(=O)c2ccc(C(=O)N3CCCC3)c(C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
ROCK2 O75116 6/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KCNK3 O14649 2/20 0.34
PRSS1 P07477 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMPD1 P17405 3/20 0.33
ROCK1 Q13464 3/20 0.33
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL7560641 0.88 F10 (0.42) ALDH1A1ROCK2ITGB3ITGA2BF2
SCHEMBL7564564 0.88 ROCK2 (0.38) ALDH1A1ROCK2ITGB3ITGA2BF2
SCHEMBL6554600 0.86 F10 (0.38) ROCK2ITGB3ITGA2BF2F10
SCHEMBL6556848 0.85 F10 (0.48) ROCK2ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL6554772 0.84 F10 (0.47) ROCK2ITGB3ITGA2BF2F10
SCHEMBL7566309 0.79 F10 (0.49) ROCK2ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL6554519 0.78 F10 (0.48) ROCK2ITGB3ITGA2BF2F10
SCHEMBL7560948 0.78 F10 (0.47) ROCK2ITGB3ITGA2BF2F10
SCHEMBL7560045 0.78 F10 (0.46) ROCK2ITGB3ITGA2BF2F10
SCHEMBL6554618 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNASMPD1

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
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP claimed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US claimed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO claimed
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 ALDH1A1 192/4885ROCK2 2609/4885ITGB3 108/4885

“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.