SCHEMBL6876362

SCHEMBL6876362

CC(C)(C)OC(=O)NC(COc1cc(C#N)ccc1/C=C/C(=O)O)CC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.41
SYK P43405 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
AAK1 Q2M2I8 3/20 0.40
CTSK P43235 3/20 0.37
CTSB P07858 2/20 0.37
CTSL P07711 1/20 0.37
PTPN1 P18031 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PPARA Q07869 1/20 0.37
ATM Q13315 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 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
SCHEMBL6876366 1.00 CTSS (0.41) CTSSSYKKLK7KLK5AAK1
SCHEMBL6864916 0.85 SYK (0.39) CTSSSYKKLK7KLK5AAK1
SCHEMBL6864921 0.85 SYK (0.39) CTSSSYKKLK7KLK5AAK1
SCHEMBL6871928 0.81 GPR119 (0.44) P2RX7
SCHEMBL6871933 0.81 GPR119 (0.44) P2RX7
Hydrochloric Acid SCHEMBL6865052 0.81 PTGER4 (0.43) PTGER1PTGER4PTGER3PTGER2HDAC8
Hydrochloric Acid SCHEMBL6865049 0.81 PTGER4 (0.43) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL6873856 0.79 AAK1 (0.47) CTSSSYKAAK1CTSKCTSB
SCHEMBL4684286 0.79 CTSS (0.36) CTSSSYKKLK7KLK5AAK1
SCHEMBL4684280 0.79 CTSS (0.36) CTSSSYKKLK7KLK5AAK1

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 5 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-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 (2 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 CTSS 326/4885SYK 415/4885KLK7 621/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CTSS 227/4885SYK 772/4885KLK7 869/4885

“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.