SCHEMBL800335

SCHEMBL800335

CC(C)[C@@](C)(O)C1CN(C(=O)OC(C)(C)C)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.39
NR1H2 P55055 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
EPHX2 P34913 1/20 0.35
ATM Q13315 1/20 0.34
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL16864093 1.00 USP2 (0.40) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL31728599 0.87 USP2 (0.42) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL14051774 0.87 USP2 (0.42) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL1005678 0.85 USP2 (0.44) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL1005680 0.85 USP2 (0.44) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL26635646 0.82 USP2 (0.41) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL26635757 0.82 USP2 (0.41) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL113506 0.82 USP2 (0.41) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL2319886 0.80 USP2 (0.45) USP2SMN1; SMN2MAPK1NR1H2MAPT
SCHEMBL6843469 0.80 USP2 (0.45) USP2SMN1; SMN2MAPK1NR1H2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067932-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-30 US disclosed
US-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 USP2 2896/4885SMN1; SMN2 1977/4885MAPK1 147/4885

“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.