SCHEMBL17349747

SCHEMBL17349747

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ POLB P06746 4/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ MAPK10 P53779 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40

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) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL17349761 0.89 NPC1 (0.38) MEN1KMT2AALDH1A1POLBDNMT1
SCHEMBL15868268 0.89 SIGMAR1 (0.40) MEN1KMT2AALDH1A1POLBBLM
SCHEMBL17349745 0.88 POLB (0.44) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL17349760 0.87 RAB9A (0.37) MEN1KMT2AALDH1A1POLBDNMT1
SCHEMBL17336977 0.85 MTNR1A (0.41) MEN1KMT2AALOX15MAPTTSHR
SCHEMBL17336976 0.85 MTNR1A (0.41) MEN1KMT2AALOX15MAPTTSHR
SCHEMBL17337689 0.84 MAPK8 (0.38) ALDH1A1MAPK10MAPK8MAPK9MAPT
SCHEMBL17337687 0.84 MAPK8 (0.38) ALDH1A1MAPK10MAPK8MAPK9MAPT
SCHEMBL23130019 0.84 PARP1 (0.36) KMT2AALDH1A1HSD17B10TSHR

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 MEN1 3535/4885KMT2A 1286/4885ALDH1A1 273/4885

“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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