SCHEMBL2748729

SCHEMBL2748729

COc1cccc(CNC(=O)C(OC)OC)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MMP13 P45452 1/20 0.63
LMNA P02545 2/20 0.60
HPGD P15428 3/20 0.58
POLB P06746 1/20 0.58
ANPEP P15144 1/20 0.57
EPHX2 P34913 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
APEX1 P27695 1/20 0.55

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
SCHEMBL15831224 0.87 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL2747972 0.85 MAPK14 (0.57) ALDH1A1HTTSMN1; SMN2MMP13POLB
SCHEMBL12884472 0.83 ALDH1A1 (0.62) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL14229597 0.83 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL9781382 0.83 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL3815151 0.83 ALDH1A1 (0.72) ALDH1A1HTTSMN1; SMN2MMP13LMNA
SCHEMBL2747621 0.82 LMNA (0.53) LMNAHPGDPOLBKDM4EMEN1
SCHEMBL2750482 0.82 APEX1 (0.54) ALDH1A1LMNAKMT2AAPEX1
SCHEMBL2750089 0.82 ANPEP (0.53) ALDH1A1POLBANPEPEPHX2
SCHEMBL23309902 0.82 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2MMP13LMNA

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-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 ALDH1A1 945/4885HTT 2661/4885SMN1; SMN2 763/4885

“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.