SCHEMBL19683268

SCHEMBL19683268

CC1CC1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
SLC6A4 P31645 1/20 0.43
PTGS2 P35354 6/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
PTGS1 P23219 2/20 0.39
RIPK1 Q13546 1/20 0.38
CHRNA7 P36544 1/20 0.37

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
SCHEMBL13527048 1.00 ENPP2 (0.45) ENPP2SLC6A4PTGS2KDM1AMAOA
SCHEMBL15212423 0.82 KDM1A (0.60) KDM1AMAOAMAOB
SCHEMBL18231177 0.80 SLC6A4 (0.44) ENPP2SLC6A4PTGS2KDM1AMAOA
SCHEMBL21845698 0.80 SLC6A4 (0.44) ENPP2SLC6A4PTGS2KDM1AMAOA
SCHEMBL21845810 0.80 SLC6A4 (0.44) ENPP2SLC6A4PTGS2KDM1AMAOA
SCHEMBL15212214 0.80 FFAR1 (0.54) ENPP2SLC6A4PTGS2KDM1AMAOA
SCHEMBL17795695 0.79 RIPK1 (0.41) ENPP2SLC6A4PTGS2KDM1AMAOA
SCHEMBL13176976 0.74 PTGS2 (0.51) ENPP2PTGS2PTGS1
SCHEMBL2376239 0.74 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL8014238 0.73 KMT2A (0.43) ENPP2SLC6A4PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 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 (2 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 ENPP2 2518/4885SLC6A4 3413/4885PTGS2 247/4885
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 ENPP2 2518/4885SLC6A4 3413/4885PTGS2 247/4885

“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.