Sugi Predict

Sugi Predict / Compounds / SCHEMBL3727945

SCHEMBL3727945

SCHEMBL3727945

CC(C)[C@@H](C(=O)O)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 12/20 0.69
▸ CA1 P00915 10/20 0.69
▸ CA9 Q16790 8/20 0.69
▸ CA5A P35218 8/20 0.69
▸ CA5B Q9Y2D0 8/20 0.69
▸ CA12 O43570 5/20 0.69
▸ CA3 P07451 3/20 0.69
▸ CA4 P22748 3/20 0.69
▸ CA6 P23280 3/20 0.69
▸ CA7 P43166 3/20 0.69
▸ CA13 Q8N1Q1 3/20 0.69
▸ CA14 Q9ULX7 3/20 0.69
▸ PTGS2 P35354 10/20 0.49

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
SCHEMBL3727950 1.00 CA2 (0.69) CA2CA1CA9CA5ACA5B
SCHEMBL18475606 0.90 CA2 (0.68) CA2CA1CA9CA5ACA5B
SCHEMBL3734123 0.88 CA2 (0.69) CA2CA1CA9CA5ACA5B
SCHEMBL3734129 0.88 CA2 (0.69) CA2CA1CA9CA5ACA5B
SCHEMBL19215887 0.87 CA2 (0.65) CA2CA1CA9CA5ACA5B
SCHEMBL3743198 0.87 CA2 (0.68) CA2CA1CA9CA5ACA5B
SCHEMBL3743205 0.87 CA2 (0.68) CA2CA1CA9CA5ACA5B
SCHEMBL13042269 0.86 CA2 (0.70) CA2CA1CA9CA5ACA5B
SCHEMBL13012579 0.82 CA2 (0.65) CA2CA1CA9CA5ACA5B
SCHEMBL3732451 0.82 CA2 (1.00) CA2CA1CA9CA5ACA5B

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 — — CN claimed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 — — EP claimed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 — — US claimed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 — — WO claimed
US-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2023-11-30 — — US disclosed
US-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2023-11-30 — — US disclosed
US-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2023-11-30 — — US disclosed
EP-3928796-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenöessische Technische Hochschule Zurich (CH) 2021-12-29 — — EP disclosed
US-20210308269-A1 Small Molecule Drug Conjugates EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2021-10-07 — — US disclosed
EP-3730154-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-06-30 — — EP disclosed
EP-3730154-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-06-30 — — EP disclosed
EP-3424537-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-01-13 — — EP disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 — — EP disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 — — US disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 — — US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 — — US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 — — US disclosed
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 — — CN disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 — — US disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 — — 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 (4 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 CA2 9/4885CA1 5/4885CA9 1/4885
US-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES CA9, CA12, CA2 CA2 3/4885CA1 10/4885CA9 1/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CA2 9/4885CA1 5/4885CA9 1/4885
US-20210308269-A1 Small Molecule Drug Conjugates CA9, CA12, CA2 CA2 3/4885CA1 10/4885CA9 1/4885

“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.