SCHEMBL5359875

SCHEMBL5359875

NC1(C(=O)OC(=O)C(F)(F)F)CCN(C(=O)Nc2ncc(-c3ccccc3)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.54
CNR2 P34972 1/20 0.49
OTUD7B Q6GQQ9 5/20 0.47
USP30 Q70CQ3 2/20 0.46
KDR P35968 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
GSTO1 P78417 1/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
SCD O00767 1/20 0.41
UCHL1 P09936 1/20 0.41
PIK3CA P42336 1/20 0.41
WNT3A P56704 1/20 0.40
ACP1 P24666 1/20 0.40
FFAR2 O15552 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
Trifluoroacetic Acid SCHEMBL5359869 0.87 NPY5R (0.58) NPY5RCNR2OTUD7BUSP30KDR
SCHEMBL14408033 0.84 NPY5R (0.64) NPY5RCNR2OTUD7BUSP30KDR
SCHEMBL5354430 0.80 CNR2 (0.53) NPY5RCNR2OTUD7BUSP30KDR
SCHEMBL14415213 0.75 CNR2 (0.69) NPY5RCNR2OTUD7BUSP30KDR
Trifluoroacetic Acid SCHEMBL5354422 0.74 CNR2 (0.55) NPY5RCNR2OTUD7BUSP30KDR
SCHEMBL14407987 0.73 CNR2 (0.64) NPY5RCNR2OTUD7BUSP30KDR
Trifluoroacetic Acid SCHEMBL5354359 0.73 CNR2 (0.56) NPY5RCNR2OTUD7BUSP30KDR
SCHEMBL14408020 0.71 CNR2 (0.58) NPY5RCNR2OTUD7BUSP30KDR
SCHEMBL14408032 0.71 CNR2 (0.61) NPY5RCNR2USP30KDRMKNK1
SCHEMBL14407986 0.71 GAA (0.62) NPY5RCNR2USP30KDRMKNK1

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-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 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-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 NPY5R 1651/4885CNR2 3769/4885OTUD7B 2942/4885

“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.