SCHEMBL3580558

SCHEMBL3580558

COC(=O)CC(N)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.47
ADRB1 P08588 2/20 0.46
ADRA1A P35348 2/20 0.46
MIF P14174 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
HIF1A Q16665 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44

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
Hydrochloric Acid SCHEMBL6495931 0.98 KYNU (0.46) KYNUADRB1ADRA1AMIFHTR2A
SCHEMBL18516122 0.84 AOC3 (0.43) KMT2ASMN1; SMN2F2F10PRSS1
SCHEMBL6495546 0.84 CPN1 (0.45) ADRB1KMT2ASMN1; SMN2ADRB2ADRB3
SCHEMBL3999761 0.84 HSD17B1 (0.46) LMNA
SCHEMBL24036585 0.83 PNP (0.47) ADRB1LMNAKMT2ASMN1; SMN2ADRB2
SCHEMBL6185468 0.83 L3MBTL1 (0.58) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8296972 0.83 KCNA5 (0.49) KMT2ASMN1; SMN2GAAF2F10
SCHEMBL21459309 0.83 KCNA5 (0.49) KMT2ASMN1; SMN2GAAF2F10
SCHEMBL4326548 0.83 SLC6A3 (0.41) KMT2ASMN1; SMN2RAB9ASLC6A3F2
SCHEMBL7422382 0.83 HDAC4 (0.46) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744252-B2 Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2017-08-29 US disclosed
EP-2744802-B1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2017-01-04 EP disclosed
CN-103906743-B The compound being combined with blood-platelet specific glycoprotein iib/iiia and the purposes of its thrombus imaging 皮拉莫尔影像股份公司 2016-12-28 CN disclosed
US-9345793-B2 Compounds for binding to the platelet specific glycoprotein IIB/IIIA and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2016-05-24 US disclosed
US-20160137629-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIb/IIIa AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2016-05-19 US disclosed
US-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2014-10-23 US disclosed
CN-103906743-A Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA 2014-07-02 CN disclosed
EP-2744802-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI Piramal Imaging SA (CH) 2014-06-25 EP disclosed
WO-2013023795-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2013-02-21 WO disclosed
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 US disclosed
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 US disclosed
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 US disclosed
EP-2104664-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN Merck Patent GmbH (DE) 2009-09-30 EP disclosed
WO-2008080455-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2008-07-10 WO disclosed
WO-2008080455-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2008-07-10 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 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 (3 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-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG KYNU 4263/4885ADRB1 1212/4885ADRA1A 1908/4885
US-20160137629-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIb/IIIa AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG KYNU 4263/4885ADRB1 1212/4885ADRA1A 1908/4885
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN CCNB3, TUBB3, CCNB1 KYNU 2169/4885ADRB1 3721/4885ADRA1A 2837/4885

“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.