SCHEMBL16178609

SCHEMBL16178609

COC(=O)C(C(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)c1cncc(OCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.42
LTA4H P09960 2/20 0.41
MAPT P10636 1/20 0.41
PPARA Q07869 2/20 0.41
SYK P43405 1/20 0.41
YAP1 P46937 1/20 0.41
BCL2 P10415 1/20 0.40
CTSS P25774 1/20 0.39
PTPN1 P18031 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
ACE P12821 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL16178610 1.00 KLK5 (0.42) KLK5LTA4HMAPTPPARASYK
SCHEMBL28116075 0.91 PPARA (0.45) KLK5LTA4HMAPTPPARASYK
SCHEMBL28116074 0.91 PPARA (0.45) KLK5LTA4HMAPTPPARASYK
SCHEMBL16178663 0.87 KMT2A (0.47) KLK5LTA4HPPARASYKYAP1
SCHEMBL16178662 0.87 KMT2A (0.47) KLK5LTA4HPPARASYKYAP1
SCHEMBL14699539 0.86 KMT2A (0.47) KLK5LTA4HPPARASYKYAP1
SCHEMBL14699537 0.86 KMT2A (0.47) KLK5LTA4HPPARASYKYAP1
SCHEMBL16188947 0.86 LTA4H (0.40) KLK5LTA4HYAP1POLBCYP3A4
SCHEMBL14714225 0.83 MAPK1 (0.38) SMN1; SMN2
SCHEMBL14699538 0.82 KMT2A (0.46) KLK5LTA4HPPARASYKYAP1

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 6 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KLK5 2454/4885LTA4H 1100/4885MAPT 4465/4885
US-20160137629-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIb/IIIa AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG KLK5 2454/4885LTA4H 1100/4885MAPT 4465/4885

“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.