SCHEMBL12464677

SCHEMBL12464677

C=C(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSK P43235 11/20 0.40
CTSS P25774 8/20 0.40
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL8605385 1.00 CA1 (0.42) CA1CA2CA7MEN1GAA
SCHEMBL2958183 0.86 CA1 (0.48) CA1CA2CA7MEN1GAA
SCHEMBL17256626 0.85 CA1 (0.44) CA1CA2CA7MEN1GAA
SCHEMBL28332424 0.85 CA1 (0.44) CA1CA2CA7MEN1GAA
SCHEMBL7271477 0.84 CA1 (0.41) CA1CA2CA7MEN1GAA
SCHEMBL25448807 0.81 CA1 (0.44) CA1CA2CA7MEN1GAA
SCHEMBL8277871 0.81 CA1 (0.39) CA1CA2CA7MEN1GAA
SCHEMBL10066466 0.80 ALDH1A1 (0.36)
SCHEMBL20901248 0.80 MAPT (0.36) CA1CA2CA7MEN1GAA
SCHEMBL15329419 0.79 CA1 (0.43) CA1CA2CA7MEN1GAA

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
EP-3590541-B1 DRUG-CONJUGATES AND USES THEREOF CONCORTIS BIOSYSTEMS CORP (US) 2021-08-11 EP disclosed
US-20110182850-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2011-07-28 US disclosed
US-20110178107-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-07-21 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-20110182850-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CA1 2516/4885CA2 1716/4885CA7 683/4885
US-20110178107-A1 HCV PROTEASE INHIBITORS HAVCR2, RNASE1, SERPINB1 CA1 3996/4885CA2 4435/4885CA7 3415/4885

“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.