SCHEMBL22198637

SCHEMBL22198637

N=C(N)NCCCCCC(=O)N[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 4/20 0.46
NPY5R Q15761 4/20 0.46
NPY1R P25929 3/20 0.46
NPY2R P49146 1/20 0.46
EPHX2 P34913 1/20 0.43
FOLH1 Q04609 4/20 0.42
TYMS P04818 2/20 0.42
GART P22102 2/20 0.42
ATIC P31939 2/20 0.42
TLR2 O60603 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
PLA2G10 O15496 1/20 0.41
NOD1 Q9Y239 2/20 0.41
PLA2G2C Q5R387 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
SCHEMBL16359252 0.88 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL7351702 0.86 PLA2G10 (0.43) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL13908025 0.85 NOD1 (0.49) FOLH1PLA2G10NOD1PLA2G2C
SCHEMBL19724151 0.85 NOD1 (0.49) FOLH1PLA2G10NOD1PLA2G2C
SCHEMBL13907995 0.84 NPY4R (0.55) NPY4RNPY5RNPY1RNPY2RFOLH1
SCHEMBL3651453 0.84 NOD1 (0.55) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL17304345 0.83 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL17304347 0.83 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL17304354 0.83 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL17304349 0.83 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2REPHX2

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-20200215199-A1 COMPOUNDS FOR TREATING CANCER BICYCLETX LIMITED (GB) 2020-07-09 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-20200215199-A1 COMPOUNDS FOR TREATING CANCER TP53, VHL, MYC NPY4R 4724/4885NPY5R 4575/4885NPY1R 4858/4885

“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.