SCHEMBL2468043

SCHEMBL2468043

COC(=O)C1(OC(F)F)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.38
EPHX2 P34913 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
PKM P14618 1/20 0.37
EPHX1 P07099 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC1 Q13547 1/20 0.36
TACR1 P25103 1/20 0.35
HPGD P15428 1/20 0.35

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 0.85 USP2 (0.45) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL12373912 0.85 USP2 (0.45) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL31566892 0.80 USP2 (0.41) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL14431182 0.80 USP2 (0.44) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL5896147 0.80 USP2 (0.49) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL29130003 0.79 GPR119 (0.45) USP2SMN1; SMN2EPHX2PKMEPHX1
SCHEMBL31566620 0.78 USP2 (0.39) USP2SMN1; SMN2TSHREPHX2ALOX15
SCHEMBL2325402 0.76 USP30 (0.44) USP2SMN1; SMN2EPHX2PKMEPHX1
SCHEMBL14962730 0.76 USP30 (0.44) USP2SMN1; SMN2EPHX2PKMEPHX1
SCHEMBL14962727 0.76 USP30 (0.44) USP2SMN1; SMN2EPHX2PKMEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 WO 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 USP2 2761/4885SMN1; SMN2 3973/4885TSHR 3596/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 USP2 2814/4885SMN1; SMN2 3842/4885TSHR 3724/4885

“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.