SCHEMBL3105049

SCHEMBL3105049

CC(C)NC(=O)c1cccc(C(=O)O)n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
ACMSD Q8TDX5 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GNE Q9Y223 1/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CNR1 P21554 1/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
MLLT1 Q03111 1/20 0.44

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
SCHEMBL20729958 0.86 BRD4 (0.55) KDM4EALOX15TSHRPOLBALDH1A1
SCHEMBL13301518 0.83 KDM4E (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL13460228 0.83 KDM4E (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL31432045 0.82 KDM4E (0.52) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL24742673 0.81 LMNA (0.46) KDM4EALOX15TSHRTDP1LMNA
SCHEMBL31514785 0.81 CTSA (0.54) ALDH1A1CNR1MLLT1
SCHEMBL5688783 0.81 GRM5 (0.55) KDM4EALOX15TSHRALDH1A1CNR1
SCHEMBL25623730 0.81 PIM1 (0.48) ALOX15TSHRALDH1A1CNR1MLLT1
SCHEMBL28386072 0.81 CTSA (0.54) KDM4ETSHRPOLBALDH1A1CNR1
SCHEMBL25820326 0.81 CNR1 (0.46) KDM4EALOX15TSHRALDH1A1CNR1

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 9 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-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
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 KDM4E 3354/4885ALOX15 1541/4885TSHR 3506/4885

“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.