SCHEMBL8192109

SCHEMBL8192109

CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(F)c(F)c3)cccn12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.38
GUCY1B2 O75343 2/20 0.36
GUCY1A2 P33402 2/20 0.36
GUCY1A1 Q02108 2/20 0.36
GUCY1B1 Q02153 2/20 0.36
PDE10A Q9Y233 2/20 0.36
KLKB1 P03952 2/20 0.36
MET P08581 1/20 0.35
PTGES O14684 1/20 0.35
MAOB P27338 1/20 0.35
SCD O00767 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
PIK3CA P42336 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL13035341 0.94 PTGES (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KLKB1
SCHEMBL13035259 0.90 MT-CO2 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KLKB1
SCHEMBL13035258 0.89 KDM4E (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KLKB1
SCHEMBL13035041 0.88 HTT (0.45) KDM4EALDH1A1HPGD
SCHEMBL13035102 0.87 MAPK8 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL13035094 0.87 KDM4E (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KLKB1
SCHEMBL8196409 0.86 CYP2C9 (0.39) PDPK1KLKB1MAOBKDM4EALDH1A1
SCHEMBL8192308 0.86 CYP2C9 (0.39) PDPK1KLKB1MAOBKDM4EALDH1A1
SCHEMBL8197199 0.85 TNKS (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KLKB1
SCHEMBL13035072 0.85 ACE2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2008082490-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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 PDPK1 99/4885GUCY1B2 2678/4885GUCY1A2 2157/4885

“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.