SCHEMBL23611534

SCHEMBL23611534

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
ALDH1A1 P00352 5/20 0.41
STAT3 P40763 1/20 0.39
GAA P10253 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
GBA1 P04062 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL14780291 0.86 CA9 (0.41) CA9CA12CA1ALDH1A1STAT3
SCHEMBL14827580 0.86 CA9 (0.43) CA9CA12CA1ALDH1A1STAT3
SCHEMBL922407 0.86 ALDH1A1 (0.53) CA9CA12CA1ALDH1A1STAT3
SCHEMBL18644929 0.86 ALDH1A1 (0.53) CA9CA12CA1ALDH1A1STAT3
SCHEMBL12865316 0.86 ALDH1A1 (0.53) CA9CA12CA1ALDH1A1STAT3
SCHEMBL18613994 0.86 ALDH1A1 (0.53) CA9CA12CA1ALDH1A1STAT3
SCHEMBL478342 0.86 ALDH1A1 (0.53) CA9CA12CA1ALDH1A1STAT3
SCHEMBL4379133 0.86 ALDH1A1 (0.53) CA9CA12CA1ALDH1A1STAT3
SCHEMBL881292 0.86 ALDH1A1 (0.53) CA9CA12CA1ALDH1A1STAT3
SCHEMBL1145153 0.86 ALDH1A1 (0.53) CA9CA12CA1ALDH1A1STAT3

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 5 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

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 CA9 3156/4885CA12 2344/4885CA1 1882/4885
US-20230098686-A1 NERVE SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 CA9 2099/4885CA12 2687/4885CA1 3277/4885

“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.