SCHEMBL23902127

SCHEMBL23902127

CC(C)C[C@@H](NC(C)C)C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SHBG P04278 1/20 0.31
HTT P42858 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
SCHEMBL23902077 1.00 MMP1 (0.33) MMP1MMP9MMP14MMP2MMP3
SCHEMBL23902100 1.00 MMP1 (0.33) MMP1MMP9MMP14MMP2MMP3
SCHEMBL13996012 0.95 SHBG (0.36) MMP1MMP9MMP14MMP2MMP3
SCHEMBL13995986 0.93 SHBG (0.39) MMP1MMP9MMP14MMP2MMP3
SCHEMBL13995983 0.93 SHBG (0.39) MMP1MMP9MMP14MMP2MMP3
SCHEMBL23902139 0.93 TDP1 (0.33) MMP1MMP9MMP14MMP2MMP3
SCHEMBL23902074 0.84 MMP1 (0.39) MMP1MMP9MMP14MMP2MMP3
SCHEMBL23902079 0.84 MMP1 (0.39) MMP1MMP9MMP14MMP2MMP3
SCHEMBL23902072 0.82 ALDH1A1 (0.34)
SCHEMBL23902110 0.82 ALDH1A1 (0.34)

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 MMP1 3804/4885MMP9 3490/4885MMP14 2563/4885

“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.