SCHEMBL3106085

SCHEMBL3106085

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.56
USP30 Q70CQ3 3/20 0.55
POLB P06746 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
HDAC4 P56524 1/20 0.52
EPHX1 P07099 1/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL30380066 0.88 PARP1 (0.55) PARP1USP30POLBCCNA2CDK2
SCHEMBL24150893 0.88 PARP1 (0.55) PARP1USP30POLBCCNA2CDK2
SCHEMBL12853455 0.86 LMNA (0.56) PARP1USP30CCNA2CDK2CDK5
SCHEMBL30170848 0.84 ALDH1A1 (0.54) PARP1USP30CCNA2CDK2CDK5
SCHEMBL25399223 0.84 ALDH1A1 (0.54) PARP1USP30CCNA2CDK2CDK5
SCHEMBL8063381 0.83 USP30 (0.68) PARP1USP30POLBEPHX1LMNA
SCHEMBL3124262 0.81 USP30 (0.62) PARP1USP30POLBHDAC4EPHX1
SCHEMBL25136278 0.81 CD38 (0.67) PARP1USP30CCNA2CDK2CDK5
SCHEMBL30182759 0.81 CD38 (0.67) PARP1USP30CCNA2CDK2CDK5
SCHEMBL13199301 0.81 KDM4E (0.68) USP30POLBHDAC4EPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 PARP1 3598/4885USP30 2887/4885POLB 4488/4885

“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.