SCHEMBL4211552

SCHEMBL4211552

COCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)c2)c(C#N)c(NC(=O)c2nccs2)n1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 19/20 0.44
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL4209128 0.93 KISS1R (0.44) KISS1RSIRT2
SCHEMBL5014023 0.93 KISS1R (0.47) KISS1R
SCHEMBL4207860 0.90 KISS1R (0.49) KISS1R
SCHEMBL4212677 0.88 KISS1R (0.59) KISS1R
SCHEMBL4210782 0.87 IKBKB (0.46) KISS1RSIRT2
SCHEMBL5014016 0.86 KISS1R (0.47) KISS1R
SCHEMBL4199530 0.83 KISS1R (0.43) KISS1RSIRT2
SCHEMBL5014960 0.82 KISS1R (0.51) KISS1R
SCHEMBL4215089 0.82 KISS1R (0.51) KISS1R
SCHEMBL5015005 0.81 KISS1R (0.62) KISS1R

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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R KISS1R 16/4885SIRT2 1099/4885

“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.