SCHEMBL6093041

SCHEMBL6093041

O=C(O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC1CCc2n[nH]cc2C1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
F2 P00734 2/20 0.39
KCNH2 Q12809 1/20 0.38
BIRC2 Q13490 3/20 0.37
XIAP P98170 3/20 0.37
SCN4A P35499 1/20 0.37
CYP3A4 P08684 5/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 5/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 2/20 0.36
MLX Q9UH92 1/20 0.36
BIRC3 Q13489 1/20 0.35
P2RY12 Q9H244 1/20 0.35
ELANE P08246 2/20 0.34
CMA1 P23946 1/20 0.34

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
SCHEMBL6095258 1.00 KDM4E (0.39) KDM4EMAPK1F2KCNH2BIRC2
SCHEMBL6181742 0.88 KDM4E (0.41) KDM4EMAPK1F2KCNH2BIRC2
SCHEMBL6178057 0.88 KDM4E (0.41) KDM4EMAPK1F2KCNH2BIRC2
Hydrochloric Acid SCHEMBL6092133 0.87 KDM4E (0.40) KDM4EMAPK1F2KCNH2BIRC2
Hydrochloric Acid SCHEMBL6093429 0.87 KDM4E (0.40) KDM4EMAPK1F2KCNH2BIRC2
SCHEMBL6092549 0.86 F2 (0.46) F2XIAPMLX
SCHEMBL6094570 0.84 XIAP (0.49) F2XIAP
SCHEMBL6180622 0.83 SCN4A (0.39) KDM4EMAPK1F2KCNH2BIRC2
SCHEMBL6178104 0.83 SCN4A (0.39) KDM4EMAPK1F2KCNH2BIRC2
SCHEMBL6093494 0.83 SCN4A (0.39) KDM4EMAPK1F2KCNH2BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP claimed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US claimed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP claimed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 KDM4E 3728/4885MAPK1 1771/4885F2 2/4885

“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.