SCHEMBL17349745

SCHEMBL17349745

CCCCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)Cc1cccs1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TSHR P16473 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CTDSP1 Q9GZU7 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
SCHEMBL17349751 0.91 NPC1 (0.48) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL17337547 0.88 TSHR (0.44) POLBTSHRALDH1A1TDP1L3MBTL1
SCHEMBL17349747 0.88 MEN1 (0.44) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL17337544 0.88 TSHR (0.44) POLBTSHRALDH1A1TDP1L3MBTL1
SCHEMBL17337124 0.87 TSHR (0.43) POLBTSHRALDH1A1TDP1L3MBTL1
SCHEMBL17337127 0.87 TSHR (0.43) POLBTSHRALDH1A1TDP1L3MBTL1
SCHEMBL17349761 0.87 NPC1 (0.38) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL17349993 0.86 ALDH1A1 (0.46) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL17337306 0.86 TSHR (0.39) POLBTSHRALDH1A1TDP1L3MBTL1
SCHEMBL17337303 0.86 TSHR (0.39) POLBTSHRALDH1A1TDP1L3MBTL1

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 POLB 587/4885NPC1 2158/4885RAB9A 1272/4885

“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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