SCHEMBL4249547

SCHEMBL4249547

Cc1cc(C)c(S(=O)(=O)CS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
RAPGEF4 Q8WZA2 7/20 0.48
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
NR2F2 P24468 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14472966 0.85 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL4291314 0.78 F2 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL31636671 0.76 F2 (0.43) CA1CA2MMP1MMP2MMP9
Fluoride SCHEMBL10886185 0.76 CA1 (0.42) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL10886170 0.76 CA1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL2047218 0.76 RAPGEF4 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL21117641 0.76 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL4291310 0.74 ALDH1A1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL9711160 0.74 RAPGEF4 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL8271353 0.74 CA1 (0.54) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638654-B2 1-fluoro-1, 1-bis-(phenylsulfonyl)methane and production method thereof NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-12-29 US disclosed
US-20090131723-A1 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof TOSOH F-TECH, INC. (JP) 2009-05-21 US disclosed
EP-1992612-A1 1-FLUORO-1,1-BIS(PHENYLSULFONYL)METHANE AND METHOD FOR PRODUCING SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2008-11-19 EP 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-20090131723-A1 1-Fluoro-1,1-Bis-(Phenylsulfonyl)Methane and Production Method Thereof CYP2S1, ARSA, MSMO1 CA1 3020/4885CA2 1360/4885MMP1 2804/4885

“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.