SCHEMBL6857501

SCHEMBL6857501

CCOP(=O)(OC=Cc1ccc(C#N)cc1OCCNC(=O)OC(C)(C)C)OCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
SCN9A Q15858 3/20 0.37
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
MGLL Q99685 2/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PDK2 Q15119 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL6555353 0.89 CA12 (0.40) CA12CA1CA2CA9SCN9A
SCHEMBL6865268 0.82 CA12 (0.40) CA12CA1CA2CA9SCN9A
SCHEMBL6865272 0.82 CA12 (0.40) CA12CA1CA2CA9SCN9A
SCHEMBL6553860 0.81 CA12 (0.46) CA12CA1CA2CA9SCN9A
SCHEMBL6870729 0.79 CA12 (0.41) CA12CA1CA2CA9CCNC
SCHEMBL6870726 0.79 CA12 (0.41) CA12CA1CA2CA9CCNC
SCHEMBL3905431 0.75 CA12 (0.39) CA12CA1CA2CA9SCN9A
SCHEMBL3905429 0.75 CA12 (0.39) CA12CA1CA2CA9SCN9A
SCHEMBL4684512 0.75 CA12 (0.47) CA12CA1CA2CA9SCN9A
SCHEMBL6554076 0.74 CA12 (0.46) CA12CA1CA2CA9SCN9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-6784191-B2 AS BLOOD-COAGULATION INHIBITOR OR AN AGENT FOR THERAPY AND PROPHYLAXIS OF THROMBOSIS OR EMBOLISM, CONTAINING AJINOMOTO CO., INC. (JP) 2004-08-31 US disclosed
US-20020193348-A1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2002-12-19 US disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 US disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 EP 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 (3 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-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI CA12 4425/4885CA1 3403/4885CA2 3566/4885
US-20020193348-A1 Benzamidine derivatives SERPINC1, SERPINE1, TFPI CA12 4375/4885CA1 3061/4885CA2 2678/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CA12 2481/4885CA1 1471/4885CA2 1711/4885

“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.