SCHEMBL2721499

SCHEMBL2721499

Cc1ccc(S(=O)(=O)OCCOCCOCCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
DUT P33316 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CA2 P00918 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
STAT3 P40763 1/20 0.35
PSMD10 O75832 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GAA P10253 1/20 0.33
VDR P11473 1/20 0.33
CYP3A4 P08684 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
SCHEMBL17185826 1.00 CA12 (0.42) CA12CA1CA9DUTALDH1A1
SCHEMBL25390430 1.00 CA12 (0.42) CA12CA1CA9DUTALDH1A1
SCHEMBL23364467 1.00 CA12 (0.42) CA12CA1CA9DUTALDH1A1
SCHEMBL23611465 1.00 CA12 (0.42) CA12CA1CA9DUTALDH1A1
SCHEMBL20564496 0.96 CA12 (0.44) CA12CA1CA9DUTALDH1A1
SCHEMBL20294716 0.93 CA12 (0.40) CA12CA1CA9DUTALDH1A1
SCHEMBL4739003 0.93 CA12 (0.40) CA12CA1CA9DUTALDH1A1
SCHEMBL19543562 0.89 CA12 (0.36) CA12CA1CA9DUTALDH1A1
SCHEMBL29704301 0.89 ALDH1A1 (0.38) CA12CA1CA9DUTALDH1A1
SCHEMBL5854114 0.87 CA12 (0.40) CA12CA1CA9DUTALDH1A1

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
US-20230098686-A1 NERVE SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION UNIV OREGON HEALTH & SCIENCE (US) 2023-03-30 US disclosed
US-20230098438-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-03-30 US disclosed
EP-4084829-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING Oregon Health & Science University (US) 2022-11-09 EP disclosed
WO-2021158820-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-12 WO disclosed
WO-2021138116-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-07-08 WO disclosed
EP-1465962-B1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIV FLORIDA (US) 2012-01-04 EP disclosed
US-6417009-B1 COUPLING LIPID AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY INSTITUTE (AU) 2002-07-09 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 (2 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-20230098438-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING GAP43, NTRK1, MAG CA12 2344/4885CA1 1882/4885CA9 3156/4885
US-20230098686-A1 NERVE SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 CA12 2687/4885CA1 3277/4885CA9 2099/4885

“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.