SCHEMBL18797955

SCHEMBL18797955

C#CCCCC(=O)N[C@H]1Cc2cccc(C(O)O)c2OB1O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.33

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
SCHEMBL19663642 0.86 MAPT (0.34) MAPT
SCHEMBL23130007 0.86 AAK1 (0.32) MAPT
SCHEMBL23837376 0.85 SMYD3 (0.34) MAPT
SCHEMBL17347772 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL23130236 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL22667381 0.84 MTNR1A (0.41) MAPT
SCHEMBL18797990 0.83 MTNR1A (0.32) —
SCHEMBL22667458 0.83 MAPT (0.33) MAPT
SCHEMBL19228027 0.83 AAK1 (0.34) MAPT
SCHEMBL18797980 0.82 NAMPT (0.35) MAPT

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-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 — — US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 — — 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 (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-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CYP1A2 510/4885CYP3A4 921/4885CYP2D6 486/4885

“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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