SCHEMBL264153

SCHEMBL264153

[2H]OC(=O)C[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.56
CASP1 P29466 9/20 0.48
SYK P43405 1/20 0.47
ATM Q13315 1/20 0.46
HTT P42858 1/20 0.45
CTSK P43235 2/20 0.44
TACR1 P25103 2/20 0.44

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
SCHEMBL553905 0.92 CTRB1 (0.61) CTRB1CASP1SYKATM
SCHEMBL264008 0.92 CTRB1 (0.61) CTRB1CASP1SYKATM
SCHEMBL553906 0.92 CTRB1 (0.61) CTRB1CASP1SYKATM
SCHEMBL4829896 0.85 CTRB1 (0.68) CTRB1SYKATMCTSKTACR1
SCHEMBL7136060 0.84 CTRB1 (0.66) CTRB1CASP1SYKATMHTT
SCHEMBL14288626 0.83 CTRB1 (0.58) CTRB1CASP1SYKATMCTSK
SCHEMBL555191 0.82 CTRB1 (0.57) CTRB1CASP1SYKATMCTSK
SCHEMBL15355257 0.82 CTRB1 (0.57) CTRB1CASP1SYKATMCTSK
SCHEMBL79250 0.82 CTRB1 (0.57) CTRB1CASP1SYKATMCTSK
SCHEMBL555192 0.82 CTRB1 (0.57) CTRB1CASP1SYKATMCTSK

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-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 US disclosed
US-20100168131-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-07-01 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-20100168131-A1 NOVEL COMPOUNDS HTR3B, HNMT, TPMT CTRB1 4356/4885CASP1 3743/4885SYK 3387/4885

“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.