SCHEMBL6554600

SCHEMBL6554600

CCCOC(=O)CC(NC(=O)c1ccc(C(=O)N2CCCC2)c(C)c1)c1cccc(C(=N)NC(=O)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.38
F2 P00734 3/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 2/20 0.38
S1PR3 Q99500 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PRSS1 P07477 2/20 0.37
S1PR1 P21453 1/20 0.37
KCNK3 O14649 2/20 0.36
LMNA P02545 1/20 0.36

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 0.95 F10 (0.42) F10F2ITGB3ITGA2BROCK2
SCHEMBL6556709 0.86 ALDH1A1 (0.39) F10F2ITGB3ITGA2BROCK2
SCHEMBL7564564 0.84 ROCK2 (0.38) F10F2ITGB3ITGA2BROCK2
SCHEMBL6556848 0.83 F10 (0.48) F10F2ITGB3ITGA2BROCK2
Hydrochloric Acid SCHEMBL6554772 0.83 F10 (0.47) F10F2ITGB3ITGA2BROCK2
SCHEMBL7558652 0.78 F10 (0.49) F10F2ITGB3ITGA2BROCK2
Hydrochloric Acid SCHEMBL6554532 0.77 F10 (0.48) F10F2ITGB3ITGA2BROCK2
SCHEMBL7566309 0.77 F10 (0.49) F10F2ITGB3ITGA2BROCK2
SCHEMBL7560948 0.77 F10 (0.47) F10F2ITGB3ITGA2BROCK2
Hydrochloric Acid SCHEMBL6554519 0.77 F10 (0.48) F10F2ITGB3ITGA2BROCK2

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 F10 35/4885F2 3/4885ITGB3 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.