SCHEMBL6941323

SCHEMBL6941323

N[C@@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.56
CTRB1 P17538 2/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ATM Q13315 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL6937929 1.00 CASP1 (0.56) CASP1CTRB1CA12CA1CA2
SCHEMBL6200622 1.00 CASP1 (0.56) CASP1CTRB1CA12CA1CA2
Hydrochloric Acid SCHEMBL6933216 0.88 CTRB1 (0.52) CASP1CTRB1CA12CA1CA2
SCHEMBL6201683 0.87 TRPM8 (0.53) CASP1CTRB1CA12CA1CA2
SCHEMBL6806205 0.86 HTT (0.56) CASP1CTRB1CA12CA1CA2
SCHEMBL14625712 0.86 CTRB1 (0.64) CTRB1CA12CA1CA2CA9
SCHEMBL10953605 0.86 CTRB1 (0.64) CTRB1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6538867 0.85 TRPM8 (0.52) CASP1CTRB1CA12CA1CA2
Hydrochloric Acid SCHEMBL6939391 0.85 TRPM8 (0.52) CASP1CTRB1CA12CA1CA2
Hydrochloric Acid SCHEMBL7212603 0.85 TRPM8 (0.52) CASP1CTRB1CA12CA1CA2

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-20030114488-A1 New processes for producing beta-alanine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-19 US disclosed
US-6538007-B1 Hydrates and method of antogonizing glycoprotein IIb/IIIa activity using these compounds is also disclosed. antagonist, inhibitor of blood platelets aggregation and inhibitor of the binding of fibrinogen to blood platelets. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 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-20030114488-A1 New processes for producing beta-alanine derivatives BCAT1, BCAT2, AGXT CASP1 1234/4885CTRB1 77/4885CA12 924/4885

“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.