SCHEMBL18072140

SCHEMBL18072140

CC(C)(C)C(=O)CCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CCn1ccnc1)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.37
▸ ROCK2 O75116 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ AHR P35869 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL17337365 0.90 TBXAS1 (0.36) TBXAS1ROCK2ALDH1A1KDM4EAHR
SCHEMBL17337360 0.90 TBXAS1 (0.36) TBXAS1ROCK2ALDH1A1KDM4EAHR
SCHEMBL17337337 0.90 TBXAS1 (0.39) TBXAS1ROCK2ALDH1A1KDM4EAHR
SCHEMBL17337339 0.90 TBXAS1 (0.39) TBXAS1ROCK2ALDH1A1KDM4EAHR
SCHEMBL17337442 0.89 TBXAS1 (0.40) TBXAS1ROCK2ALDH1A1KDM4EMEN1
SCHEMBL17337446 0.89 TBXAS1 (0.40) TBXAS1ROCK2ALDH1A1KDM4EMEN1
SCHEMBL17337151 0.89 TBXAS1 (0.46) TBXAS1ROCK2ALDH1A1KDM4EAHR
SCHEMBL17337153 0.89 TBXAS1 (0.46) TBXAS1ROCK2ALDH1A1KDM4EAHR
SCHEMBL23837599 0.88 TBXAS1 (0.37) TBXAS1ROCK2ALDH1A1KDM4EAHR
SCHEMBL17347848 0.88 KDM4E (0.43) TBXAS1ROCK2ALDH1A1KDM4EAHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — US disclosed
US-20160264598-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 — — 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-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TBXAS1 1938/4885ROCK2 2893/4885ALDH1A1 305/4885

“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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