SCHEMBL521402

SCHEMBL521402

CCC(C)OP(=O)(O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.48
CA1 P00915 15/20 0.48
CA7 P43166 13/20 0.48
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
CA4 P22748 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA14 Q9ULX7 10/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL7501045 0.81 LMNA (0.35) LMNA
SCHEMBL3894262 0.80 TSHR (0.47) CA2CA1CA12CA9CA14
SCHEMBL895237 0.78 ALDH1A1 (0.38) CA12LMNA
SCHEMBL11648928 0.78 MEN1 (0.39) CA2CA12CA9CA14LMNA
SCHEMBL914853 0.78 HTT (0.39) CA2CA9CA14LMNA
SCHEMBL778445 0.78 ALDH1A1 (0.47) CA2CA4CA5AL3MBTL1
SCHEMBL914891 0.77 AKR1C3 (0.44) CA2CA1CA12CA9CA14
SCHEMBL9923581 0.71 CA2 (0.58) CA2CA1CA7CA12CA9
SCHEMBL21556105 0.71 CA2 (0.58) CA2CA1CA7CA12CA9
SCHEMBL21556165 0.71 CA2 (0.58) CA2CA1CA7CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2554579-B1 PROTON CONDUCTING MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2016-03-30 EP disclosed
US-9160021-B2 Proton conducting materials 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-10-13 US disclosed
EP-2554580-B1 Proton conducting materials 3M INNOVATIVE PROPERTIES CO (US) 2015-01-14 EP disclosed
US-20130273457-A1 PROTON CONDUCTING MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2013-10-17 US disclosed
EP-2276728-B1 PROTON CONDUCTING MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
US-8481227-B2 Proton conducting materials 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-07-09 US disclosed
EP-2554579-A1 Proton conducting materials 3M Innovative Properties Company of 3M Center (US) 2013-02-06 EP disclosed
EP-2554580-A1 Proton conducting materials 3M Innovative Properties Company of 3M Center (US) 2013-02-06 EP disclosed
US-20120276471-A1 PROTON CONDUCTING MATERIALS 3M INNOVATIVE PROPERTIES COMPANY 2012-11-01 US disclosed
US-8227140-B2 Proton conducting materials 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-07-24 US disclosed
US-20120029098-A1 PROTON CONDUCTING MATERIALS 3M INNOVATIVE PROPERTIES COMPANY 2012-02-02 US disclosed
EP-2276728-A2 PROTON CONDUCTING MATERIALS 3M Innovative Properties Company (US) 2011-01-26 EP disclosed
US-20090269644-A1 PROTON CONDUCTING MATERIALS 3M INNOVATIVE PROPERTIES COMPANY 2009-10-29 US disclosed
WO-2009132241-A2 PROTON CONDUCTING MATERIALS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-10-29 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 (3 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-20090269644-A1 PROTON CONDUCTING MATERIALS KCNJ1, ASIC3, SLC9A2 CA2 312/4885CA1 941/4885CA7 1485/4885
US-20120029098-A1 PROTON CONDUCTING MATERIALS KCNJ1, ASIC3, SLC9A2 CA2 312/4885CA1 941/4885CA7 1485/4885
US-20120276471-A1 PROTON CONDUCTING MATERIALS KCNJ1, ASIC3, SLC9A2 CA2 312/4885CA1 941/4885CA7 1485/4885

“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.