SCHEMBL12907717

SCHEMBL12907717

CC(C)C[C@H](NC(=O)[C@@H](C)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.72
▸ ACE P12821 7/20 0.59
▸ MME P08473 6/20 0.59
▸ CPA1 P15085 2/20 0.55
▸ ACE2 Q9BYF1 2/20 0.55

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
SCHEMBL15223611 0.88 MME (0.74) FOLH1ACEMMECPA1ACE2
SCHEMBL9822809 0.86 FOLH1 (0.69) FOLH1ACEMME
SCHEMBL14940816 0.86 FOLH1 (0.69) FOLH1ACEMME
SCHEMBL29532240 0.86 FOLH1 (0.69) FOLH1ACEMME
Hydrochloric Acid SCHEMBL30698091 0.85 FOLH1 (0.67) FOLH1ACEMME
SCHEMBL19432689 0.84 FOLH1 (0.67) FOLH1ACEMMECPA1ACE2
SCHEMBL29477112 0.84 FOLH1 (0.66) FOLH1ACEMME
SCHEMBL30538841 0.84 FOLH1 (0.70) FOLH1ACEMMECPA1ACE2
SCHEMBL29531738 0.84 FOLH1 (0.66) FOLH1ACEMME
SCHEMBL30683246 0.84 FOLH1 (0.66) FOLH1ACEMME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434762-B2 Macrocyclic cysteine protease inhibitors and compositions thereof UNIVERSITY OF CANTERBURY (NZ) 2016-09-06 — — US disclosed
US-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof LINCOLN UNIVERSITY (NZ) 2014-07-10 — — US disclosed
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof UNIVERSITY OF CANTERBURY (NZ) 2011-01-27 — — 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 (2 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-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 FOLH1 803/4885ACE 68/4885MME 329/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 FOLH1 803/4885ACE 68/4885MME 329/4885

“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.

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