SCHEMBL1759097

SCHEMBL1759097

Cc1ccc(S(=O)(=O)OCCOCC[O])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
VDR P11473 1/20 0.41
GAA P10253 2/20 0.41
STAT3 P40763 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TLR9 Q9NR96 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 2/20 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
SCHEMBL922407 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9VDR
SCHEMBL12865316 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9VDR
SCHEMBL18644929 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9VDR
SCHEMBL1145153 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9VDR
SCHEMBL881292 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9VDR
SCHEMBL478342 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9VDR
SCHEMBL4379133 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9VDR
SCHEMBL18613994 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9VDR
SCHEMBL1759072 0.89 GAA (0.46) ALDH1A1CA12CA1CA9VDR
SCHEMBL241884 0.87 CA1 (0.52) ALDH1A1CA12CA1CA9VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141693-A1 SYNTHETIC GLYCOLIPIDS AND GLYCOLIPOSOME COMPOSITIONS SUITABLE FOR CARGO DELIVERY TO THE CENTRAL NERVOUS SYSTEM KORANEX CAPITAL (CA) 2023-08-03 WO disclosed
WO-2023141692-A1 SYNTHETIC GLYCOLIPIDS AND GLYCOLIPOSOME COMPOSITIONS SUITABLE FOR CARGO DELIVERY TO THE CENTRAL NERVOUS SYSTEM KORANEX CAPITAL (CA) 2023-08-03 WO disclosed
US-9017645-B2 Homoglutamic acid derivatives PIRAMAL IMAGING SA (CH) 2015-04-28 US disclosed
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-03-21 US disclosed
EP-2499113-A1 HOMOGLUTAMIC ACID DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2012-09-19 EP disclosed
WO-2011057986-A1 HOMOGLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 WO disclosed
EP-2322500-A1 Fluoro-labeled homo-glutamate derivatives and precursors thereof Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
EP-2322514-A1 Homoglutamic acid and glutamic acid derivatives Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP 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-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES FGB, GGCT, RIMKLA ALDH1A1 2339/4885CA12 437/4885CA1 551/4885

“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.