SCHEMBL13035249

SCHEMBL13035249

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
GUCY1B2 O75343 5/20 0.35
GUCY1A2 P33402 5/20 0.35
GUCY1A1 Q02108 5/20 0.35
GUCY1B1 Q02153 5/20 0.35
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
TACR3 P29371 1/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL8194184 0.93 PTGER4 (0.37) PTGER4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL8199491 0.93 PTGER4 (0.37) PTGER4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035074 0.91 PTGER4 (0.49) PTGER4GPR139
SCHEMBL13035070 0.91 PTGER4 (0.36) PTGER4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035259 0.88 MT-CO2 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL8202877 0.86 ROCK1 (0.41) DYRK3CDK2CDK5DYRK1A
SCHEMBL8191846 0.86 GUCY1B2 (0.39) PTGER4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035288 0.85 FOLH1 (0.36) PTGER4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035132 0.85 FOLH1 (0.36) PTGER4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035264 0.84 PTGER4 (0.36) PTGER4GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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 2547/4885GUCY1B2 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.