SCHEMBL13035264

SCHEMBL13035264

CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
PHGDH O43175 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PPARG P37231 2/20 0.33
CNR1 P21554 3/20 0.32
GUCY1B2 O75343 4/20 0.32
GUCY1A2 P33402 4/20 0.32
GUCY1A1 Q02108 4/20 0.32
GUCY1B1 Q02153 4/20 0.32
TP53 P04637 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13035109 1.00 PTGER4 (0.36) PTGER4PHGDHMAPK8MAPK9MAPK10
SCHEMBL13035070 0.93 PTGER4 (0.36) PTGER4PHGDHMAPK8MAPK9MAPK10
SCHEMBL8194184 0.91 PTGER4 (0.37) PTGER4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8199491 0.91 PTGER4 (0.37) PTGER4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13035076 0.90 MAPK8 (0.44) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL13035388 0.87 GUCY1B2 (0.33) MAPK8MAPK9MAPK10CNR1GUCY1B2
SCHEMBL8194380 0.84 GUCY1B2 (0.38) PTGER4KDM4EHSD17B10CNR1GUCY1B2
SCHEMBL13035249 0.84 PTGER4 (0.38) PTGER4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8192795 0.84 MAPK8 (0.45) PTGER4PHGDHMAPK8MAPK9MAPK10
SCHEMBL13035438 0.83 MAPK8 (0.37) MAPK8MAPK9MAPK10ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 PTGER4 2547/4885PHGDH 2525/4885MAPK8 35/4885

“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.