SCHEMBL16178663

SCHEMBL16178663

COC(=O)C(C(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
LTA4H P09960 2/20 0.44
KLK5 Q9Y337 1/20 0.44
ALOX5 P09917 1/20 0.44
SYK P43405 1/20 0.43
MAOB P27338 1/20 0.43
PTGES O14684 1/20 0.43
PPARA Q07869 1/20 0.43
EPOR P19235 1/20 0.43
YAP1 P46937 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR4A2 P43354 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL16178662 1.00 KMT2A (0.47) KMT2ASMN1; SMN2PDK1PDK2PDK3
SCHEMBL14699537 0.99 KMT2A (0.47) KMT2ASMN1; SMN2PDK1PDK2PDK3
SCHEMBL14699539 0.99 KMT2A (0.47) KMT2ASMN1; SMN2PDK1PDK2PDK3
SCHEMBL14699538 0.95 KMT2A (0.46) KMT2ASMN1; SMN2PDK1PDK2PDK3
SCHEMBL16178609 0.87 KLK5 (0.42) SMN1; SMN2LTA4HKLK5SYKPPARA
SCHEMBL16178610 0.87 KLK5 (0.42) SMN1; SMN2LTA4HKLK5SYKPPARA
SCHEMBL14699488 0.86 KMT2A (0.55) KMT2ASMN1; SMN2PDK1PDK2PDK3
SCHEMBL14699489 0.86 KMT2A (0.55) KMT2ASMN1; SMN2PDK1PDK2PDK3
SCHEMBL16188945 0.85 KMT2A (0.44) KMT2ASMN1; SMN2PDK1PDK2PDK3
SCHEMBL27984257 0.82 KMT2A (0.51) KMT2ASMN1; SMN2PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG KMT2A 4576/4885SMN1; SMN2 4795/4885PDK1 2987/4885

“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.