SCHEMBL23901752

SCHEMBL23901752

CC(C)CCC(C(=O)C(C)C)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL23901757 1.00 CA1 (0.33) CA1SLC1A3SLC1A2SLC1A1
SCHEMBL23902055 0.88 BLM (0.38) CA1
SCHEMBL23902267 0.88 BLM (0.38) CA1
SCHEMBL23902268 0.88 BLM (0.38) CA1
SCHEMBL23901768 0.83 CHRM1 (0.34)
SCHEMBL23901748 0.71
SCHEMBL11736567 0.70 CHRM1 (0.39) CA1
SCHEMBL15197953 0.69 BLM (0.43) CA1SLC1A3SLC1A2SLC1A1
SCHEMBL23902056 0.68 BLM (0.39) CA1
SCHEMBL8463026 0.68 CA1 (0.32) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 CA1 4769/4885SLC1A3 1879/4885SLC1A2 2391/4885

“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.