SCHEMBL78508

SCHEMBL78508

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Br)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
CYP1A2 P05177 1/20 0.80
CYP3A4 P08684 1/20 0.80
CYP2D6 P10635 1/20 0.80
CYP2C9 P11712 1/20 0.80
CYP2C19 P33261 1/20 0.80
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
SCHEMBL15326026 0.90 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL87121 0.89 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4363365 0.89 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
Rivaroxaban SCHEMBL77766 0.89 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
Rivaroxaban SCHEMBL3914 0.89 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL78030 0.89 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
Rivaroxaban SCHEMBL7721848 0.89 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15846698 0.89 F10 (0.83) F10CYP1A2CYP3A4CYP2D6CYP2C9
Rivaroxaban SCHEMBL14796329 0.88 F10 (0.98) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL87231 0.87 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-20 US disclosed
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-18 US disclosed
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP disclosed
US-8530505-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-10 US disclosed
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-01-03 US disclosed
US-8129378-B2 Rivaroxaban and derivatives, synthesis; atherosclerosis; arthritis; Alzheimer's disease or cancer BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20100267685-A1 Methods For The Prophylaxis And/or Treatment Of Thromboembolic Disorders By Combination Therapy With Substituted Oxazolidinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 US disclosed
US-7767702-B2 Combinations of oxazolidinones such as rivaroxaban with a platelet aggregation inhibitor such as a clopidogrel for the prophylaxis and/or treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20100160301-A1 MICROANGIOPATHY TREATMENT AND PREVENTION BAYER HEALTHCARE AG 2010-06-24 US disclosed
US-20100137274-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER SCHERING PHARMA AG (DE) 2010-06-03 US disclosed
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-7157456-B2 Anticoagulates for treating cardiovascular disorders, such as myocardial infarct, angina pectoris, restenoses after angioplasty, bypass, stroke; treatment of atherosclerosis, arthritis, Alzheimer's disease or cancer BAYER HEALTHCARE AG (DE) 2007-01-02 US disclosed
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-16 US disclosed
EP-1526132-A2 Substituted oxazolidinone derivatives and their use as factor xa inhibitors Bayer HealthCare AG (DE) 2005-04-27 EP disclosed
EP-1261606-B1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AG (DE) 2005-02-23 EP disclosed
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-12-02 US disclosed
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 US disclosed
WO-2001047919-A9 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AG (DE) 2002-12-19 WO disclosed
EP-1261606-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION Bayer Aktiengesellschaft (DE) 2002-12-04 EP disclosed
WO-2001047919-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 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 (10 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-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones P2RY12, P2RY11, P2RY1 F10 1174/4885CYP1A2 181/4885CYP3A4 230/4885
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B F10 9/4885CYP1A2 46/4885CYP3A4 42/4885
US-20100137274-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B F10 9/4885CYP1A2 46/4885CYP3A4 42/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB F10 41/4885CYP1A2 112/4885CYP3A4 300/4885
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B F10 9/4885CYP1A2 46/4885CYP3A4 42/4885
US-20100267685-A1 Methods For The Prophylaxis And/or Treatment Of Thromboembolic Disorders By Combination Therapy With Substituted Oxazolidinones SERPINC1, SDHB, F2 F10 34/4885CYP1A2 93/4885CYP3A4 256/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 F10 9/4885CYP1A2 33/4885CYP3A4 43/4885
US-20100160301-A1 MICROANGIOPATHY TREATMENT AND PREVENTION SERPINC1, TFPI, F11 F10 10/4885CYP1A2 1508/4885CYP3A4 2469/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B F10 9/4885CYP1A2 46/4885CYP3A4 42/4885
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation F2, F11, F13B F10 9/4885CYP1A2 46/4885CYP3A4 42/4885

“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.