SCHEMBL1759088

SCHEMBL1759088

O=[N+]([O-])c1ccc(S(=O)(=O)OCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
CA9 Q16790 6/20 0.47
CA12 O43570 5/20 0.47
CA14 Q9ULX7 4/20 0.47
CA7 P43166 4/20 0.47
CA3 P07451 3/20 0.47
CA4 P22748 3/20 0.47
CA6 P23280 3/20 0.47
CA5A P35218 3/20 0.47
CA13 Q8N1Q1 3/20 0.47
CA5B Q9Y2D0 3/20 0.47
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44

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
SCHEMBL10615549 0.91 KMT2A (0.46) TSHRCA1CA2MMP1MMP2
SCHEMBL1759048 0.91 KMT2A (0.46) TSHRCA1CA2MMP1MMP2
SCHEMBL30865768 0.89 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL19127566 0.86 CA1 (0.47) TSHRCA1CA2MMP1MMP2
SCHEMBL10615554 0.84 CA1 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL10615596 0.84 CA1 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL1759087 0.84 CA1 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL27767684 0.83 PRMT5 (0.61) TSHRCA1CA2MMP1MMP2
SCHEMBL1759109 0.83 CA2 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL368915 0.83 CA1 (0.52) CA1CA2MMP1MMP2MMP9

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
CN-117924203-A Method for synthesizing ozagrel intermediate 山东新时代药业有限公司 2024-04-26 CN disclosed
US-20160015838-A1 Vinylsulfone-based 18F-labeling Compositions and Methods and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA USC STEVENS (US) 2016-01-21 US 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 (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-20160015838-A1 Vinylsulfone-based 18F-labeling Compositions and Methods and Uses Thereof TST, VARS1, STS TSHR 161/4885CA1 3847/4885CA2 4778/4885
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES FGB, GGCT, RIMKLA TSHR 3658/4885CA1 551/4885CA2 1821/4885

“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.