SCHEMBL735084

SCHEMBL735084

COc1ccccc1C([S])(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR3C2 P08235 1/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL27965943 0.79 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL9013821 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL8784001 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL8785032 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL2434874 0.76 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL4599958 0.76 CYP19A1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL1425722 0.76 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL7713128 0.76 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL136228 0.76 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL2634621 0.76 KCNN4 (0.52) CA1CA2CA7CA9CA12

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-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

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 CA1 2612/4885CA2 2835/4885CA7 1367/4885

“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.