SCHEMBL25008944

SCHEMBL25008944

CCCc1ccc(C#Cc2ccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.58
TAS1R1 Q7RTX1 2/20 0.58
ACACB O00763 7/20 0.51
PLK1 P53350 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46

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
SCHEMBL30132213 0.86 ACACB (0.51) ACACB
SCHEMBL255199 0.84 GRM5 (0.51) ACACBLNPEP
SCHEMBL403799 0.84 GRM5 (0.51) ACACBLNPEP
SCHEMBL13654190 0.84 GRM5 (0.51) ACACBLNPEP
SCHEMBL22769302 0.83 TAS1R3 (0.45) TAS1R3TAS1R1ACACB
SCHEMBL22769341 0.83 TAS1R3 (0.48) TAS1R3TAS1R1ACACBLNPEP
SCHEMBL22769301 0.83 TAS1R3 (0.45) TAS1R3TAS1R1ACACB
SCHEMBL21258371 0.83 TAS1R3 (0.48) TAS1R3TAS1R1ACACBLNPEP
SCHEMBL21258304 0.83 TAS1R3 (0.48) TAS1R3TAS1R1ACACBLNPEP
SCHEMBL19262856 0.83 TAS1R3 (0.45) TAS1R3TAS1R1ACACBLNPEP

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-20250099433-A1 COMPOSITION AND METHOD FOR TREATMENT OF GRAM NEGATIVE BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2025-03-27 US disclosed
WO-2023015236-A2 COMPOSITION AND METHOD FOR TREATMENT OF GRAM NEGATIVE BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-02-09 WO disclosed
WO-2023015236-A2 COMPOSITION AND METHOD FOR TREATMENT OF GRAM NEGATIVE BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-02-09 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 (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-20250099433-A1 COMPOSITION AND METHOD FOR TREATMENT OF GRAM NEGATIVE BACTERIAL INFECTION NR1H3, NR1H4, NR1H2 TAS1R3 815/4885TAS1R1 1677/4885ACACB 3126/4885

“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.