SCHEMBL8739532

SCHEMBL8739532

Cc1cc(C)c(S(=O)(=O)ON)c(C(Cl)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
RAPGEF4 Q8WZA2 6/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL20310 0.82 F2 (0.50) F2PRSS1PRSS2PRSS3CA1
Hydrochloric Acid SCHEMBL28479231 0.80 F2 (0.49) F2PRSS1PRSS2PRSS3CA1
Methylene Chloride SCHEMBL23923198 0.79 F2 (0.45) F2PRSS1PRSS2PRSS3CA1
SCHEMBL20626670 0.74 F2 (0.44) F2PRSS1PRSS2PRSS3CA1
SCHEMBL301212 0.70 F2 (0.47) F2PRSS1PRSS2PRSS3CA1
Trifluoroacetic Acid SCHEMBL8316154 0.69 F2 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2678329 0.65 CA1 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL19309115 0.65 CA2 (0.34) F2PRSS1PRSS2PRSS3CA2
SCHEMBL6911996 0.64 RAPGEF4 (0.48) F2PRSS1PRSS2PRSS3CA1
SCHEMBL3445101 0.64 RAPGEF4 (0.41) RAPGEF4MAPTALDH1A1CYP3A4TSHR

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-20120129836-A1 Imidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-05-24 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-20120129836-A1 Imidazole derivatives as PDE10A enzyme inhibitors PDE5A, PDE3A, PDE3B F2 4053/4885PRSS1 1125/4885PRSS2 1128/4885

“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.