SCHEMBL8511532

SCHEMBL8511532

COC(=O)c1c(Br)cc(Br)c(C(=O)OC)c1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CYP3A4 P08684 2/20 0.40
ACHE P22303 1/20 0.40
NOTUM Q6P988 2/20 0.39
HPGD P15428 1/20 0.38
XDH P47989 3/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36

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
SCHEMBL8509820 0.78 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL6512998 0.77 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7737835 0.77 CYP3A4 (0.55) CA12CA1CA2CA7CA9
SCHEMBL5561626 0.77 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4116286 0.77 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL24682466 0.75 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL8513199 0.75 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL20275098 0.75 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL4113651 0.75 CA2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6520368 0.75 CA12 (0.44) CA12CA1CA2CA7CA9

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-8877869-B2 Method for selecting organic sulfur compound for golf ball, method for producing golf ball, and golf ball SRI SPORTS LIMITED (JP) 2014-11-04 US disclosed
US-20120135823-A1 METHOD FOR SELECTING ORGANIC SULFUR COMPOUND FOR GOLF BALL, METHOD FOR PRODUCING GOLF BALL, AND GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-05-31 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-20120135823-A1 METHOD FOR SELECTING ORGANIC SULFUR COMPOUND FOR GOLF BALL, METHOD FOR PRODUCING GOLF BALL, AND GOLF BALL GIGYF2, FKBP4, GSS CA12 3222/4885CA1 3107/4885CA2 3414/4885

“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.