SCHEMBL23901714

SCHEMBL23901714

CCc1cc(C(C)C)ccc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
CA2 P00918 3/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
RNASEH1 O60930 1/20 0.37
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
TYR P14679 1/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 2/20 0.36
PDIA6 Q15084 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7952694 0.78 ALDH1A1 (0.55) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL4629169 0.78 PDIA6 (0.49) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL3532245 0.76 TRPV4 (0.51) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL23598880 0.76 PTGS1 (0.41) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL9174184 0.76 CA2 (0.53) ALDH1A1GAACA2CA12CA1
SCHEMBL16604574 0.76 FABP4 (0.46) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL1559677 0.76 KDM4E (0.45) ALDH1A1CA2CA12CA1CA9
SCHEMBL23319859 0.76 CA2 (0.53) ALDH1A1CA2CA12CA1CA9
SCHEMBL9644228 0.76 L3MBTL1 (0.46) ALDH1A1GAACA2CA12CA1
SCHEMBL30069489 0.76 KDM4E (0.45) ALDH1A1CA2CA12CA1CA9

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 ALDH1A1 4745/4885GAA 885/4885HTT 4610/4885

“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.