SCHEMBL8196660

SCHEMBL8196660

COC(=O)[C@H](NC(=O)c1cccn2c(C(=O)N[C@H](CO)CC(C)C)c(-c3ccsc3)nc12)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.42
GUCY1B2 O75343 5/20 0.34
GUCY1A2 P33402 5/20 0.34
GUCY1A1 Q02108 5/20 0.34
GUCY1B1 Q02153 5/20 0.34
CNR1 P21554 3/20 0.33
LMNA P02545 1/20 0.33
TACR2 P21452 3/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 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
SCHEMBL13035132 0.93 FOLH1 (0.36) TACR3GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035288 0.93 FOLH1 (0.36) TACR3GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL8199491 0.90 PTGER4 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL8194184 0.90 PTGER4 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL8191808 0.88 TACR3 (0.39) TACR3GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035050 0.86 MT-CO2 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL8194380 0.84 GUCY1B2 (0.38) TACR3GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035249 0.83 PTGER4 (0.38) TACR3GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035264 0.82 PTGER4 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL13035109 0.82 PTGER4 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
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 TACR3 4233/4885GUCY1B2 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.