SCHEMBL6426733

SCHEMBL6426733

CC(C)[C@@H](CO)NC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OCCC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPK1 P28482 7/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
PDPK1 O15530 1/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DGAT2 Q96PD7 1/20 0.30
CAPN1 P07384 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL5029919 0.92 MAPK1 (0.38) LMNAMAPK1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6427748 0.91 MAPK1 (0.34) LMNAMAPK1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6428486 0.90 SCN9A (0.33) LMNAMAPK1JAK2CAPN1CTSB
SCHEMBL6427759 0.88 LMNA (0.35) LMNAMAPK1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL5031136 0.88 LMNA (0.35) LMNAMAPK1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6428642 0.86 DCAF1 (0.40) MAPK1
SCHEMBL5029993 0.84 MEN1 (0.36) LMNAMAPK1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13927747 0.84 MAPK1 (0.38) LMNAMAPK1NTRK1CAPN1CTSB
SCHEMBL6426817 0.83 MAPK1 (0.34) LMNAMAPK1CAPN1CTSB
SCHEMBL4139328 0.83 TRPA1 (0.32) PDPK1JAK2NTRK1MEN1KMT2A

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885MAPK1 6/4885GUCY1B2 3406/4885

“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.