SCHEMBL17349992

SCHEMBL17349992

CCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 3/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL17349755 0.91 NPSR1 (0.37) KMT2AMEN1NPSR1MAPTTSHR
SCHEMBL17349993 0.91 ALDH1A1 (0.46) KMT2AMEN1MAPTTSHRKDM4E
SCHEMBL17337369 0.90 TSHR (0.40) NPSR1MAPTTSHRKDM4EHSD17B10
SCHEMBL17337367 0.90 TSHR (0.40) NPSR1MAPTTSHRKDM4EHSD17B10
SCHEMBL17349757 0.90 ATM (0.41) NPSR1TSHRMAPK10KDM4EHSD17B10
SCHEMBL17349949 0.89 TSHR (0.39) KMT2ANPSR1MAPTTSHRKDM4E
SCHEMBL17337676 0.88 MTNR1A (0.39) NPSR1TSHRKDM4EHSD17B10L3MBTL1
SCHEMBL17349859 0.88 TSHR (0.38) NPSR1MAPTTSHRMAPK10KDM4E
SCHEMBL17337678 0.88 MTNR1A (0.39) NPSR1TSHRKDM4EHSD17B10L3MBTL1
SCHEMBL17349996 0.88 KMT2A (0.35) KMT2AMEN1NPSR1MAPTTSHR

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 KMT2A 1286/4885MEN1 3535/4885NPSR1 4734/4885

“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