SCHEMBL18957112

SCHEMBL18957112

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL18957115 1.00 TSHR (0.35) TSHRMEN1KMT2APDK2TDP1
SCHEMBL18966616 0.93 TSHR (0.36) TSHRMEN1KMT2APDK2TDP1
SCHEMBL18966533 0.93 TDP1 (0.31) TSHRMEN1KMT2ATDP1NPSR1
SCHEMBL17349994 0.92 TSHR (0.36) TSHRMEN1KMT2ATDP1NPSR1
SCHEMBL18966633 0.91 TSHR (0.34) TSHRMEN1KMT2APDK2TDP1
SCHEMBL18966573 0.90 ALDH1A1 (0.32) MEN1KMT2ATDP1NPSR1MAPT
SCHEMBL18966826 0.90 TSHR (0.41) TSHRMEN1KMT2ATDP1L3MBTL1
SCHEMBL18966888 0.90 ALDH1A1 (0.35) TSHRMEN1KMT2AALDH1A1
SCHEMBL18966890 0.90 EGFR (0.32) —
SCHEMBL18957282 0.90 PRKCB (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
US-20180291039-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-11 — — US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — WO disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — WO 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 (2 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TSHR 4759/4885MEN1 4336/4885KMT2A 915/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885MEN1 4336/4885KMT2A 915/4885

“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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