SCHEMBL7982750

SCHEMBL7982750

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C1CC=C(Cl)S1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ F2 P00734 1/20 0.66
▸ ST14 Q9Y5Y6 1/20 0.66
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61

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
SCHEMBL16467069 0.83 F10 (0.73) F10ABCB11F2ST14CYP1A2
SCHEMBL14838774 0.83 F10 (0.73) F10ABCB11F2ST14CYP1A2
SCHEMBL7983038 0.83 F10 (0.48) F10ABCB11F2ST14CYP1A2
SCHEMBL7999551 0.82 GRM2 (0.48) F10ABCB11F2ST14
SCHEMBL806187 0.82 F10 (0.74) F10ABCB11F2ST14CYP1A2
SCHEMBL8001812 0.82 F10 (0.47) F10ABCB11F2ST14CYP1A2
SCHEMBL7988853 0.81 F10 (0.49) F10ABCB11F2ST14
SCHEMBL14582023 0.81 F10 (0.68) F10ABCB11F2ST14CYP1A2
SCHEMBL8246602 0.81 F10 (0.66) F10ABCB11F2ST14
SCHEMBL13479673 0.81 F10 (0.66) F10ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334284-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-18 — — US disclosed
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 — — US disclosed
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 — — US disclosed
WO-2010002115-A2 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-01-07 — — 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 (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-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP F10 604/4885ABCB11 2268/4885F2 40/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP F10 604/4885ABCB11 2268/4885F2 40/4885

“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.

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