SCHEMBL2143227

SCHEMBL2143227

Cc1ccc(S(=O)(=O)OCCCCCF)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
PSMD10 O75832 1/20 0.40
CYP24A1 Q07973 2/20 0.40
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
AGER Q15109 1/20 0.38
VDR P11473 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 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
SCHEMBL8402278 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL10430736 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL3838686 0.98 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL57036 0.93 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL13020456 0.93 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL4815560 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL11050599 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL4951882 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL4812770 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL8483813 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12

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-8597869-B2 Sulfonium salt, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-12-03 US disclosed
US-20120100486-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-26 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-20120100486-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS STS, SLC6A5, SLC6A9 ALDH1A1 3978/4885CYP3A4 2502/4885CYP2C9 2580/4885

“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.