SCHEMBL8513199

SCHEMBL8513199

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.40
ACHE P22303 1/20 0.40
GAA P10253 4/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NR4A2 P43354 2/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL8513517 0.78 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5542753 0.78 KMT2A (0.53) CA12CA1CA2CA7CA9
SCHEMBL6512998 0.77 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10129753 0.77 TSHR (0.47) CA12CA1CA2CA7CA9
SCHEMBL522606 0.77 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5786874 0.77 CYP3A4 (0.55) CA12CA1CA2CA7CA9
SCHEMBL29070096 0.76 NOTUM (0.41) CA12CA1CA2CA7CA9
SCHEMBL8512478 0.76 KMT2A (0.39) CYP3A4ALDH1A1LMNAHTTHPGD
SCHEMBL879309 0.75 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL1707046 0.75 NQO2 (0.50) 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.