SCHEMBL1676744

SCHEMBL1676744

N[C@@H](Cc1ccc(-c2cccnc2)cc1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.45
MKNK2 Q9HBH9 5/20 0.45
CYP2A6 P11509 1/20 0.45
NAAA Q02083 1/20 0.42
NR3C2 P08235 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
KDR P35968 2/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40

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
SCHEMBL6161407 0.86 SRR (0.48) DPP4
Hydrochloric Acid SCHEMBL31407496 0.84 MKNK1 (0.45) MKNK1MKNK2CYP2A6NAAANR3C2
Trifluoroacetic Acid SCHEMBL1676739 0.83 GRB2 (0.53) MKNK1MKNK2CYP2A6NR3C2DPP4
SCHEMBL539487 0.82 MKNK1 (0.50) MKNK1MKNK2CYP2A6NAAAKDR
SCHEMBL1676927 0.81 MKNK1 (0.47) MKNK1MKNK2CYP2A6NAAAMMP12
SCHEMBL1676925 0.81 MKNK1 (0.47) MKNK1MKNK2CYP2A6NAAAMMP12
Hydrochloric Acid SCHEMBL539488 0.81 MKNK1 (0.49) MKNK1MKNK2CYP2A6NAAAWNT3A
Hydrochloric Acid SCHEMBL539486 0.81 MKNK1 (0.49) MKNK1MKNK2CYP2A6NAAAWNT3A
SCHEMBL7606896 0.79 SLC7A5 (0.56) MKNK1MKNK2CYP2A6
SCHEMBL21690091 0.79 SLC7A5 (0.56) MKNK1MKNK2CYP2A6

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-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity CHUGAI SEIYAKU KABUSHIKI KAISHA 2011-04-28 US disclosed
EP-1908846-A1 METHOD OF PRODUCING COMPOUND HAVING ANTI-HCV ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-04-09 EP 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-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity ERG28, HCCS, BCAT2 MKNK1 2163/4885MKNK2 2897/4885CYP2A6 489/4885

“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.