Xemilofiban

Xemilofiban

SCHEMBL609244

C#C[C@H](CC(=O)OCC)NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Xemilofiban. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 known ✓ P05106 14/20 0.98
ITGA2B known ✓ P08514 14/20 0.98
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 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
Xemilofiban SCHEMBL5163315 0.99 ITGB3 (1.00) ITGB3ITGA2BLMNAMAPTTDP1
Xemilofiban SCHEMBL50663 0.99 ITGB3 (1.00) ITGB3ITGA2BLMNAMAPTTDP1
Xemilofiban SCHEMBL27987260 0.97 ITGB3 (0.96) ITGB3ITGA2B
SCHEMBL7351416 0.89 ITGB3 (0.81) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7353828 0.86 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7346572 0.86 ITGB3 (0.77) ITGB3ITGA2BLMNAMAPTTDP1
SCHEMBL7346651 0.85 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7348945 0.85 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7355439 0.84 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL7346593 0.84 ITGB3 (0.74) ITGB3ITGA2BLMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230758-B Crystal form of xemilofiban hydrochloride 合肥合源药业有限公司 2017-02-15 CN claimed
CN-104230758-A Crystal form of xemilofiban hydrochloride HEFEI COSOURCE MEDICNE TECHNOLOGY CO LTD 2014-12-24 CN claimed
CN-104230758-B Crystal form of xemilofiban hydrochloride 合肥合源药业有限公司 2017-02-15 CN disclosed
CN-104230758-B Crystal form of xemilofiban hydrochloride 合肥合源药业有限公司 2017-02-15 CN disclosed
CN-104230758-B Crystal form of xemilofiban hydrochloride 合肥合源药业有限公司 2017-02-15 CN disclosed
US-9353218-B2 Kit for multifunctional compounds forming crosslinked biomaterials ANGIOTECH PHARMACEUTICALS, INC. 2016-05-31 US disclosed
CN-104230758-A Crystal form of xemilofiban hydrochloride HEFEI COSOURCE MEDICNE TECHNOLOGY CO LTD 2014-12-24 CN disclosed
CN-104230758-A Crystal form of xemilofiban hydrochloride HEFEI COSOURCE MEDICNE TECHNOLOGY CO LTD 2014-12-24 CN disclosed
CN-104230758-A Crystal form of xemilofiban hydrochloride HEFEI COSOURCE MEDICNE TECHNOLOGY CO LTD 2014-12-24 CN disclosed
CN-104174071-A COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIODEVICE INTERNAT GMBH 2014-12-03 CN disclosed
US-20130289235-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2013-10-31 US disclosed
WO-2005051452-A2 POLYMER COMPOSITIONS AND METHODS FOR THEIR USE ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005051316-A2 POLYMER COMPOSITIONS AND METHODS FOR THEIR USE ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005051871-A2 IMPLANTABLE SENSORS AND IMPLANTABLE PUMPS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005051483-A2 ELECTRICAL DEVICES AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005051444-A2 SOFT TISSUE IMPLANTS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005046516-A2 MEDICAL IMPLANTS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-05-26 WO disclosed
US-20050084514-A1 Combination drug therapy for reducing scar tissue formation AFMEDICA, INC. (US) 2005-04-21 US disclosed
US-20030118584-A1 Restoration of platelet aggregation by antibody administration after GPIIB/IIIa antagonist treatment G.D. SEARLE & CO. 2003-06-26 US disclosed
US-20020177172-A1 RESTORATION OF PLATELET AGGREGATION BY ANTIBODY ADMINISTRATION AFTER GPIIB/IIIA ANTAGONIST TREATMENT WESTERN MICHIGAN UNIVERSITY 2002-11-28 US 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-20030118584-A1 Restoration of platelet aggregation by antibody administration after GPIIB/IIIa antagonist treatment F13B, GP6, FGB ITGB3 12/4885ITGA2B 10/4885LMNA 2986/4885

“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.