SCHEMBL5707066

SCHEMBL5707066

CC1(COc2ccc(S(=O)(=O)c3ccccc3OCc3ccccc3)cc2)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
AR P10275 5/20 0.41
RORC P51449 1/20 0.40
CYP19A1 P11511 3/20 0.40
HTR6 P50406 1/20 0.40
PIR O00625 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
CTRC Q99895 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
SCHEMBL31349 0.88 CA12 (0.52) CA12CA1CA2CA4CA5A
SCHEMBL7752409 0.83 CA12 (0.60) CA12CA1CA2CA4CA5A
SCHEMBL1144646 0.81 CA12 (0.45) CA12CA1CA2CA4CA5A
SCHEMBL1228633 0.80 PTGS1 (0.51) NPC1RAB9ASMN1; SMN2MAOBLMNA
SCHEMBL6301749 0.79 MAOB (0.48) CA12CA1CA2CA7CA9
SCHEMBL8611881 0.78 PKM (0.49) CYP19A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9405446 0.78 CA12 (0.51) CA12CA1CA2CA4CA5A
SCHEMBL6736842 0.76 GSTP1 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL7720231 0.76 PKM (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7751043 0.75 HTR6 (0.49) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092553-B1 THERMAL RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2006-09-20 EP claimed
EP-1092552-B1 THERMAL RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2004-09-29 EP claimed
US-20060242772-A1 Reductive colouring system for keratin fibres THE PROCTER & GAMBLE COMPANY 2006-11-02 US disclosed
EP-1709022-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
EP-1707188-A1 Reductive colouring system for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 EP disclosed
EP-1092553-B1 THERMAL RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2006-09-20 EP disclosed
WO-2005073205-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 WO 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-20060242772-A1 Reductive colouring system for keratin fibres KRT18, OAT, COX6C CA12 130/4885CA1 477/4885CA2 275/4885

“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.