SCHEMBL12373912

SCHEMBL12373912

COC(=O)[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP11B2 P19099 1/20 0.38
RECQL P46063 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
SCHEMBL17631772 1.00 USP2 (0.45) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL5896147 0.92 USP2 (0.49) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL31566892 0.92 USP2 (0.41) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL22118546 0.87 USP2 (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL2279208 0.86 USP2 (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL12373916 0.86 USP2 (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL17146104 0.86 USP2 (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL14431182 0.86 USP2 (0.44) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL29130003 0.85 GPR119 (0.45) USP2SMN1; SMN2PKMEPHX2EPHX1
SCHEMBL2468043 0.85 USP2 (0.40) USP2SMN1; SMN2PKMEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 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-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 USP2 3593/4885SMN1; SMN2 4291/4885PKM 2230/4885

“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.