SCHEMBL6517495

SCHEMBL6517495

O=S(=O)(Nc1ccccc1-c1ccccc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
MCOLN3 Q8TDD5 3/20 0.51
LMNA P02545 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
ALOX5AP P20292 1/20 0.50
FEN1 P39748 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
SLC22A12 Q96S37 3/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 6/20 0.47
PTGS2 P35354 5/20 0.47
AGTR2 P50052 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7437434 0.87 CA2 (0.50) CA2MCOLN3LMNACA12CA9
SCHEMBL27537443 0.87 CA2 (0.50) CA2MCOLN3LMNACA12CA9
SCHEMBL27595682 0.82 CA2 (0.63) CA2MCOLN3LMNACA12CA9
SCHEMBL28749290 0.82 CA2 (0.60) CA2LMNAALOX5APFEN1SLC22A12
Trifluoromethanesulfonic Acid SCHEMBL29029435 0.79 MCL1 (0.52) CA2MCOLN3LMNACA12CA9
SCHEMBL12054691 0.76 CA2 (0.66) CA2PTGS1PTGS2
SCHEMBL31645593 0.76 KDM1A (0.60) CA2MCOLN3LMNACA12CA9
SCHEMBL4533547 0.76 KDM1A (0.60) CA2MCOLN3LMNACA12CA9
SCHEMBL27878385 0.76 MCOLN3 (0.56) CA2MCOLN3LMNACA12CA9
SCHEMBL10622905 0.76 CA2 (0.61) CA2ALOX5APFEN1SMN1; SMN2SLC22A12

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-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CA2 165/4885MCOLN3 4342/4885LMNA 4379/4885

“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.