SCHEMBL735085

SCHEMBL735085

COc1ccc(C([S])(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.54
LTA4H P09960 2/20 0.52
KIF11 P52732 9/20 0.51
KCNH2 Q12809 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TRPA1 O75762 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL3879465 1.00 CA4 (0.54) CA4LTA4HKIF11KCNH2CA12
SCHEMBL1286989 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL14856630 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL8858901 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL10112758 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL5051055 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL8648265 0.82 CA4 (0.59) CA4LTA4HKIF11KCNH2CA12
SCHEMBL7021665 0.80 CA4 (0.56) CA4LTA4HKIF11KCNH2CA12
SCHEMBL4570566 0.80 CA4 (0.56) CA4LTA4HKIF11KCNH2CA12
SCHEMBL6787449 0.80 CA4 (0.56) CA4LTA4HKIF11KCNH2CA12

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-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 US disclosed
JP-2005255528-A NEW CARBONIC ACID ESTER DERIVATIVE AND METHOD FOR SYNTHESIZING NUCLEIC ACID BY UTILIZING THE SAME JAPAN SCIENCE & TECHNOLOGY AGENCY 2005-09-22 JP 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR CA4 1123/4885LTA4H 2365/4885KIF11 2684/4885

“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.