SCHEMBL617783

SCHEMBL617783

CC(COc1cc(Cc2ccccc2)cc(N)c1C#N)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.40
MAPK9 P45984 3/20 0.40
RPS27 P42677 3/20 0.40
MAPK10 P53779 1/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
PRKD3 O94806 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL621914 0.90 MAPK8 (0.39) MAPK8MAPK9RPS27MAPK10FNTA
SCHEMBL620379 0.81 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL623626 0.74 MAPK8 (0.36) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL28454782 0.74 CTSS (0.48)
SCHEMBL31670282 0.74 CTSS (0.48)
SCHEMBL31670293 0.74 CTSS (0.48)
SCHEMBL28455496 0.74 CTSS (0.48)
SCHEMBL28460837 0.74 CTSS (0.48)
SCHEMBL623385 0.71 HTT (0.41)
SCHEMBL21267912 0.70 SMN1; SMN2 (0.38) MAPK8MAPK9PRKD3

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-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 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-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 MAPK8 3048/4885MAPK9 4078/4885RPS27 904/4885

“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.