SCHEMBL12705758

SCHEMBL12705758

Cc1cc(C(C)(C)C)cc(C)c1SS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HTR1D P28221 5/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HTR1B P28222 3/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXRB P28702 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31

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
SCHEMBL896031 0.79 POLB (0.50) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL2018161 0.79 POLB (0.50) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL896127 0.76 RAPGEF4 (0.39) TSHRALDH1A1HSD17B10TDP1MAPT
SCHEMBL2022116 0.75 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL14629628 0.75 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL6353240 0.72 CYP3A4 (0.46) ALDH1A1ALOX15TDP1MEN1GAA
SCHEMBL11613649 0.71 ALDH1A1 (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL1847884 0.70 POLB (0.52) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL24344713 0.70 POLB (0.41) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL8664743 0.69 POLB (0.57) POLBHTR1DGABRA1GABRB2HTR1B

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-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

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 POLB 2510/4885HTR1D 3436/4885GABRA1 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.