SCHEMBL9998375

SCHEMBL9998375

CCCCCCc1ccc(C=CC(OC(C)=O)OC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.51
SPHK2 Q9NRA0 1/20 0.51
THRB P10828 8/20 0.49
THRA P10827 7/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSPD1 P10809 1/20 0.45

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
SCHEMBL9997753 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9997997 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9997670 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9998374 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9998438 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9998441 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9997749 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9997672 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9997995 1.00 SPHK1 (0.51) SPHK1SPHK2THRBTHRAMEN1
SCHEMBL9997856 0.99 SPHK1 (0.52) SPHK1SPHK2THRBTHRAMEN1

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-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 SPHK1 3760/4885SPHK2 3716/4885THRB 926/4885

“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.