SCHEMBL18797996

SCHEMBL18797996

CC(=O)N[C@H]1Cc2cccc(C(O)OCOC(=O)C3CCCCC3)c2OB1O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL19228029 0.91 MTNR1A (0.32) —
SCHEMBL19228023 0.91 ALDH1A1 (0.30) —
SCHEMBL18798014 0.90 MTNR1A (0.34) —
SCHEMBL18797981 0.83 MTNR1A (0.32) —
SCHEMBL23129978 0.83 TDP1 (0.37) CASP3SENP8SENP7SENP6MEN1
SCHEMBL17347703 0.83 TDP1 (0.37) CASP3SENP8SENP7SENP6MEN1
SCHEMBL19228022 0.82 TAOK3 (0.33) —
SCHEMBL19662890 0.81 CASP3 (0.35) CASP3SENP8SENP7SENP6MEN1
SCHEMBL18797966 0.80 MTNR1A (0.35) —
SCHEMBL21539650 0.78 MTNR1A (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008346-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-05-18 — — US disclosed
US-20200361962-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 — — US disclosed
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — 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 (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-11008346-B2 Beta-lactamase inhibitors MGAM, GAA, LCT CASP3 1532/4885SENP8 1662/4885SENP7 2282/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CASP3 1532/4885SENP8 1662/4885SENP7 2282/4885

“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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