SCHEMBL17275366

SCHEMBL17275366

C#CCC(O)[C@H](C)NC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
BBOX1 O75936 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
SCHEMBL15618910 1.00 GRIK1 (0.32) GRIK1GRIK2CYP2D6CYP2C19BBOX1
SCHEMBL15618911 1.00 GRIK1 (0.32) GRIK1GRIK2CYP2D6CYP2C19BBOX1
SCHEMBL28631346 0.75 CYP2D6 (0.48) CYP2D6
SCHEMBL15618843 0.74
SCHEMBL20501441 0.74 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL16165213 0.74 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL16164213 0.72 ALDH1A1 (0.42) CYP2D6CYP2C19
SCHEMBL16964293 0.72 ALDH1A1 (0.38) CYP2D6CYP2C19
SCHEMBL5378210 0.72 ALDH1A1 (0.38) CYP2D6CYP2C19
SCHEMBL5631671 0.72 GABRR1 (0.34) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
EP-3145944-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2017-03-29 EP disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 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 (3 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-10351595-B2 MRPL21, PRSS1, PEPD GRIK1 2948/4885GRIK2 4381/4885CYP2D6 4186/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC GRIK1 3179/4885GRIK2 4661/4885CYP2D6 3451/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC GRIK1 3179/4885GRIK2 4661/4885CYP2D6 3451/4885

“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.