SCHEMBL17349858

SCHEMBL17349858

CC(C)(C)C(=O)OCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CCC(=O)c1cccs1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ CTNNB1 P35222 3/20 0.35
▸ WNT3A P56704 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL17349850 0.89 TSHR (0.41) ALDH1A1LMNACTNNB1WNT3AL3MBTL1
SCHEMBL17350001 0.89 TSHR (0.37) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL17349760 0.88 RAB9A (0.37) ALDH1A1LMNAL3MBTL1HPGDMEN1
SCHEMBL17337057 0.87 PRKCB (0.33) —
SCHEMBL17337052 0.87 PRKCB (0.33) —
SCHEMBL18957224 0.86 PRKCB (0.34) —
SCHEMBL18957225 0.86 PRKCB (0.34) —
SCHEMBL17337350 0.86 PRKCB (0.33) —
SCHEMBL17337353 0.86 PRKCB (0.33) —
SCHEMBL17337366 0.86 MTNR1A (0.36) —

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-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-17 — — 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-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS SI, ALPI, GAA ALDH1A1 273/4885LMNA 646/4885CTNNB1 323/4885

“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.

Send feedback