SCHEMBL4256262

SCHEMBL4256262

CC(=O)OC(=CCc1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
PTPN1 P18031 1/20 0.41
PLK1 P53350 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
CDC25B P30305 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40
ATM Q13315 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27278901 0.75 TDP1 (0.44) MEN1KMT2ATDP1CYP2C19SIRT5
SCHEMBL3682565 0.74 XPO1 (0.51) TDP1CYP3A4CYP2C19AKR1C3AKR1C2
SCHEMBL17595169 0.74 TDP1 (0.53) MEN1KMT2ATDP1CYP2C19SIRT5
SCHEMBL775617 0.73 NR4A1 (0.55) MEN1KMT2ATDP1NR4A1NR4A2
SCHEMBL8600665 0.73 MTNR1A (0.48) MEN1KMT2ATDP1CYP2C19SIRT5
SCHEMBL590846 0.72 SIRT5 (0.61) MEN1KMT2ATDP1MAPK8MAPK9
SCHEMBL5609945 0.71 TDP1 (0.53) MEN1KMT2ATDP1CYP2C19SIRT5
SCHEMBL10389881 0.71 TDP1 (0.53) MEN1KMT2ATDP1CYP2C19SIRT5
SCHEMBL9165434 0.71 NR4A1 (0.53) MEN1KMT2ATDP1NR4A1NR4A2
SCHEMBL27450916 0.71 NR4A1 (0.53) MEN1KMT2ATDP1NR4A1NR4A2

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 MEN1 1304/4885KMT2A 1733/4885TDP1 3003/4885

“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.