SCHEMBL2564478

SCHEMBL2564478

Cc1ccc(S(=O)(=O)OCCCOC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 6/20 0.45
GAA P10253 2/20 0.43
RAB9A P51151 1/20 0.42
PSMD10 O75832 1/20 0.42
STAT3 P40763 1/20 0.42
TSHR P16473 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
RECQL P46063 1/20 0.40
CYP24A1 Q07973 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
G6PD P11413 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
SCHEMBL57438 0.90 CA12 (0.45) CYP3A4ALDH1A1GAARAB9ASTAT3
SCHEMBL483847 0.88 ALDH1A1 (0.50) CYP3A4ALDH1A1GAAPSMD10STAT3
SCHEMBL890725 0.84 ALDH1A1 (0.50) CYP3A4ALDH1A1GAAPSMD10STAT3
SCHEMBL18161753 0.83 CA12 (0.41) CYP3A4ALDH1A1GAAPSMD10STAT3
SCHEMBL21618180 0.83 ALDH1A1 (0.50) CYP3A4ALDH1A1GAAPSMD10STAT3
SCHEMBL12737574 0.83 ALDH1A1 (0.50) CYP3A4ALDH1A1GAAPSMD10STAT3
SCHEMBL3062773 0.83 CYP24A1 (0.42) ALDH1A1PSMD10STAT3CYP24A1
SCHEMBL4951882 0.83 ALDH1A1 (0.48) CYP3A4ALDH1A1GAAPSMD10STAT3
SCHEMBL8484861 0.83 ALDH1A1 (0.48) CYP3A4ALDH1A1GAAPSMD10STAT3
SCHEMBL4815560 0.83 ALDH1A1 (0.48) CYP3A4ALDH1A1GAAPSMD10STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES CYP3A4 179/4885ALDH1A1 875/4885GAA 3631/4885

“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.