SCHEMBL4179739

SCHEMBL4179739

CCOCc1cc(C(C)(C)C)cc(COCC)c1SS

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL914586 0.86 GABRA1 (0.34) HMGCRCYP2C19GABRA1GABRB2
SCHEMBL12705769 0.82 GABRA1 (0.34) CYP2C19GABRA1GABRB2
SCHEMBL12705777 0.82 PTPN1 (0.33) CYP2C19
SCHEMBL12905824 0.81 HMGCR (0.35) HMGCRCYP2C19GABRA1GABRB2
SCHEMBL12705779 0.81 GABRA1 (0.33) CYP2C19GABRA1GABRB2
SCHEMBL15963992 0.79 HMGCR (0.31) HMGCRCYP2C19
SCHEMBL12705771 0.78 GABRA1 (0.37) HMGCRCYP2C19GABRA1GABRB2
SCHEMBL12705774 0.78 HMGCR (0.33) HMGCRCYP2C19GABRA1GABRB2
SCHEMBL914352 0.77 CYP2C19 (0.38) HMGCRCYP2C19GABRA1GABRB2
Fluoride SCHEMBL915855 0.75 GABRA1 (0.34) HMGCRCYP2C19GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919635-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2011-04-05 US disclosed
US-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T RESEARCH, INC. (US) 2009-08-13 US disclosed
EP-2046735-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T Research, Inc. (US) 2009-04-15 EP disclosed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO 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-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS PFAS, FRS2, FBL HMGCR 3386/4885CYP2C19 2602/4885GABRA1 1880/4885

“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.