SCHEMBL2792016

SCHEMBL2792016

C=CC[C@@H](CO)NC(=O)CNC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
CPA1 P15085 1/20 0.32
CNR1 P21554 1/20 0.31

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
SCHEMBL22469164 0.81 CPA1 (0.37) ITGB3ITGA2BTSHRSMN1; SMN2CPA1
SCHEMBL2370207 0.81 CPA1 (0.37) ITGB3ITGA2BTSHRSMN1; SMN2CPA1
SCHEMBL263735 0.77 TDP1 (0.38) SMN1; SMN2
SCHEMBL29662747 0.77 ASAH1 (0.34) ITGB3ITGA2BTSHRSMN1; SMN2ATM
SCHEMBL5823623 0.72 TSHR (0.45) TSHRCPA1CNR1
SCHEMBL263369 0.69
SCHEMBL17866155 0.67 CPA1 (0.35) ITGB3ITGA2BCPA1
SCHEMBL3609476 0.67 GRIK1 (0.33) CPA1
SCHEMBL3609473 0.67 GRIK1 (0.33) CPA1
SCHEMBL3642955 0.67 GRIK1 (0.33) CPA1

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-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 ITGB3 490/4885ITGA2B 511/4885TSHR 1363/4885

“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.