SCHEMBL8199491

SCHEMBL8199491

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
CNR1 P21554 3/20 0.34
GUCY1B2 O75343 5/20 0.33
GUCY1A2 P33402 5/20 0.33
GUCY1A1 Q02108 5/20 0.33
GUCY1B1 Q02153 5/20 0.33
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
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
TSHR P16473 1/20 0.32
POLR1A O95602 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8194184 1.00 PTGER4 (0.37) PTGER4CNR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13035249 0.93 PTGER4 (0.38) PTGER4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035288 0.92 FOLH1 (0.36) PTGER4CNR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13035132 0.92 FOLH1 (0.36) PTGER4CNR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13035264 0.91 PTGER4 (0.36) PTGER4CNR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13035109 0.91 PTGER4 (0.36) PTGER4CNR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL8196660 0.90 TACR3 (0.42) CNR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035050 0.89 MT-CO2 (0.35) CNR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL8194380 0.87 GUCY1B2 (0.38) PTGER4CNR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13035070 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 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 PTGER4 2547/4885CNR1 1294/4885GUCY1B2 2678/4885

“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.