SCHEMBL2188917

SCHEMBL2188917

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)c1ccc(Cl)s1

nearest known ligand 0.94

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.94
ABCB11 O95342 1/20 0.80
F2 P00734 1/20 0.80
ST14 Q9Y5Y6 1/20 0.80

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
SCHEMBL87622 0.97 F10 (1.00) F10ABCB11F2ST14
SCHEMBL78812 0.97 F10 (1.00) F10ABCB11F2ST14
SCHEMBL2986836 0.92 F10 (0.82) F10ABCB11F2ST14
Rivaroxaban SCHEMBL3914 0.89 F10 (1.00) F10ABCB11F2ST14
Rivaroxaban SCHEMBL7721848 0.89 F10 (1.00) F10ABCB11F2ST14
Rivaroxaban SCHEMBL77766 0.89 F10 (1.00) F10ABCB11F2ST14
SCHEMBL77782 0.89 F10 (0.86) F10ABCB11F2ST14
SCHEMBL77206 0.88 F10 (1.00) F10
SCHEMBL3262953 0.88 F10 (0.74) F10ABCB11F2ST14
Rivaroxaban SCHEMBL14796329 0.88 F10 (0.98) F10ABCB11F2ST14

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050743-A1 BINDING PROTEINS TO INHIBITORS OF COAGULATION FACTORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-20 US disclosed
EP-2665751-A1 BINDING PROTEINS TO INHIBITORS OF COAGULATION FACTORS Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2012098089-A1 BINDING PROTEINS TO INHIBITORS OF COAGULATION FACTORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 WO disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
CN-101730695-A Aminoacyl prodrugs as an active pharmaceutical ingredient for thromboembolic disorders BAYER HEALTHCARE AG 2010-06-09 CN disclosed
EP-2167500-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008155034-A1 SUBSTITUTED OXAZOLIDINONES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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 (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-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF XDH, OXA1L, PPOX F10 391/4885ABCB11 725/4885F2 39/4885
US-20140050743-A1 BINDING PROTEINS TO INHIBITORS OF COAGULATION FACTORS F13B, F11, SERPINC1 F10 10/4885ABCB11 3023/4885F2 8/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT F10 126/4885ABCB11 2339/4885F2 15/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT F10 735/4885ABCB11 1495/4885F2 106/4885

“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.