SCHEMBL597707

SCHEMBL597707

Cc1ccc(S(=O)(=O)OCCCCc2c(F)cc(F)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.40
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP24A1 Q07973 2/20 0.35
PTGS2 P35354 2/20 0.35
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS1 P23219 1/20 0.34
CA2 P00918 1/20 0.34
STAT3 P40763 2/20 0.34
CYSLTR2 Q9NS75 3/20 0.33
CYSLTR1 Q9Y271 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL597366 0.88 PSMD10 (0.41) PSMD10CA1CA12CA9CYP24A1
SCHEMBL890725 0.80 ALDH1A1 (0.50) PSMD10CA1CA12CA9CYP24A1
SCHEMBL10474974 0.78 PTGS2 (0.40) PSMD10CA1CA12CA9L3MBTL1
SCHEMBL11050599 0.78 ALDH1A1 (0.48) PSMD10CA1CA12CA9CYP24A1
SCHEMBL4815560 0.78 ALDH1A1 (0.48) PSMD10CA1CA12CA9CYP24A1
SCHEMBL4812770 0.78 ALDH1A1 (0.48) PSMD10CA1CA12CA9CYP24A1
SCHEMBL8484861 0.78 ALDH1A1 (0.48) PSMD10CA1CA12CA9CYP24A1
SCHEMBL4951882 0.78 ALDH1A1 (0.48) PSMD10CA1CA12CA9CYP24A1
SCHEMBL4954181 0.78 ALDH1A1 (0.48) PSMD10CA1CA12CA9CYP24A1
SCHEMBL8483813 0.78 ALDH1A1 (0.48) PSMD10CA1CA12CA9CYP24A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206698-B1 Ethynylindole compounds ONO PHARMACEUTICAL CO (JP) 2012-07-18 EP disclosed
US-8115014-B2 Ethynylindole compounds ONO Pharmaceuticals, Co., Ltd. (JP) 2012-02-14 US disclosed
EP-2206698-A1 Ethynylindole compounds ONO Pharmaceutical Co., Ltd. (JP) 2010-07-14 EP disclosed
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-24 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-20100160647-A1 ETHYNYLINDOLE COMPOUNDS CYSLTR2, CYSLTR1, LTB4R2 PSMD10 4541/4885CA1 4810/4885CA12 4752/4885

“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.