SCHEMBL4684512

SCHEMBL4684512

CC(C)(C)OC(=O)NCCOc1cc(C#N)ccc1I

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
PDK2 Q15119 1/20 0.40
SCN9A Q15858 1/20 0.40
MMP3 P08254 1/20 0.39
IDO1 P14902 2/20 0.39
KCNH2 Q12809 1/20 0.38
MGLL Q99685 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A43 Q9HB55 1/20 0.37

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
SCHEMBL6874766 0.97 CA12 (0.48) CA12CA1CA2CA9KCNH2
SCHEMBL6554076 0.85 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL6553860 0.84 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL6553675 0.84 CA12 (0.48) CA12CA1CA2CA9PDK2
SCHEMBL3896082 0.83 MMP3 (0.44) MMP3CYP2D6CYP2C19
SCHEMBL2470561 0.82 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL6870064 0.81 CA12 (0.43) CA12CA1CA2CA9PDK2
SCHEMBL13140981 0.81 CA12 (0.64) CA12CA1CA2CA9PDK2
SCHEMBL6865528 0.81 BCHE (0.47) CA12CA1CA2CA9IDO1
SCHEMBL19174933 0.81 CA1 (0.51) CA12CA1CA2CA9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
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-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
EP-1236735-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2004-02-25 EP disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
US-20020193348-A1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2002-12-19 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
EP-1236735-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-09-04 EP 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 (4 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
US-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 CA12 3110/4885CA1 1998/4885CA2 798/4885

“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.