SCHEMBL17349902

SCHEMBL17349902

CCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)c1c(Cl)cccc1Cl)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ACR P10323 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TAS1R3 Q7RTX0 3/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.35
▸ TAS1R2 Q8TE23 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CHRM2 P08172 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
SCHEMBL17349901 0.88 PRKCB (0.36) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL17349899 0.87 ALDH1A1 (0.42) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL17349982 0.86 HTT (0.43) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL17349897 0.86 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHPGDTP53
SCHEMBL17337416 0.86 TSHR (0.40) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL17337417 0.86 TSHR (0.40) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL17349884 0.85 CDC25B (0.43) TDP1ALDH1A1LMNAMAPTKDM4E
SCHEMBL17349984 0.85 ALDH1A1 (0.39) TDP1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL17349967 0.85 RAB9A (0.42) TDP1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL17337369 0.85 TSHR (0.40) TDP1L3MBTL1ALDH1A1LMNAMAPT

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 TDP1 2040/4885L3MBTL1 214/4885ALDH1A1 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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