SCHEMBL77503

SCHEMBL77503

C=CCNC(=O)c1ccc(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
HPGD P15428 7/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.52
CYP1A2 P05177 2/20 0.51
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
GSK3B P49841 1/20 0.47
F2 P00734 1/20 0.47
DAO P14920 1/20 0.47
F10 P00742 1/20 0.47
MELK Q14680 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL13479623 0.81 CCNA2 (0.45) MAPK1HPGDALDH1A1TSHRCYP1A2
SCHEMBL12124284 0.80 KMT2A (0.61) HPGDALDH1A1RAB9APOLBDAO
SCHEMBL8337504 0.78 MAPK1 (0.50) MAPK1HPGDALDH1A1TSHRRAB9A
SCHEMBL14627824 0.77 MAPK1 (0.64) MAPK1HPGDALDH1A1TSHRRAB9A
SCHEMBL1106560 0.76 KMT2A (0.65) MAPK1HPGDALDH1A1TSHRRAB9A
SCHEMBL13153491 0.75 MAPK1 (0.57) MAPK1HPGDALDH1A1TSHRRAB9A
SCHEMBL28412767 0.75 MAPK1 (0.54) MAPK1HPGDALDH1A1TSHRRAB9A
SCHEMBL28409634 0.75 MAPK1 (0.54) MAPK1HPGDALDH1A1TSHRRAB9A
SCHEMBL5429273 0.75 F2 (0.58) MAPK1HPGDALDH1A1TSHRRAB9A
SCHEMBL5429275 0.75 MAPK1 (0.65) MAPK1HPGDTSHRCYP1A2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-20 US disclosed
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-20 US disclosed
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
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-18 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
US-8822458-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-02 US disclosed
US-8822458-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-02 US disclosed
US-8822458-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-02 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
WO-2004101557-A1 HETEROCYCLIC COMPOUNDS BAYER HEALTHCARE AG (DE) 2004-11-25 WO disclosed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 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-2003000256-A9 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER AG (DE) 2003-02-06 WO disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 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 (5 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 MAPK1 2346/4885HPGD 51/4885ALDH1A1 153/4885
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 MAPK1 2123/4885HPGD 3467/4885ALDH1A1 3897/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB MAPK1 3056/4885HPGD 218/4885ALDH1A1 237/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 MAPK1 1832/4885HPGD 342/4885ALDH1A1 96/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B MAPK1 3637/4885HPGD 241/4885ALDH1A1 194/4885

“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.