SCHEMBL17349993

SCHEMBL17349993

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ TSHR P16473 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TRPA1 O75762 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ DDX3X O00571 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL17337306 0.92 TSHR (0.39) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL17337303 0.92 TSHR (0.39) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL17337544 0.91 TSHR (0.44) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL17337547 0.91 TSHR (0.44) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL17349992 0.91 KMT2A (0.44) ALDH1A1TSHRL3MBTL1HSD17B10MEN1
SCHEMBL17337124 0.90 TSHR (0.43) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL17337127 0.90 TSHR (0.43) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL18957092 0.88 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL18957087 0.88 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL17337479 0.88 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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 273/4885TSHR 4621/4885MAPK1 4730/4885

“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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