Sugi Predict

Sugi Predict / Compounds / SCHEMBL3735796

SCHEMBL3735796

SCHEMBL3735796

CC1CCCN(C(=O)[C@@H](C(C)C)n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 16/20 0.50
▸ CA2 P00918 16/20 0.50
▸ CA9 Q16790 16/20 0.50
▸ CA12 O43570 14/20 0.50
▸ CA14 Q9ULX7 14/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA3 P07451 2/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CA6 P23280 2/20 0.50
▸ CA5A P35218 2/20 0.50
▸ CA13 Q8N1Q1 2/20 0.50
▸ CA5B Q9Y2D0 2/20 0.50

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
SCHEMBL13012436 1.00 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL13042177 1.00 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL13078018 0.88 RAB9A (0.40) CA1CA2CA9CA12CA14
SCHEMBL13062299 0.88 RAB9A (0.40) CA1CA2CA9CA12CA14
SCHEMBL3735550 0.81 CA2 (0.75) CA1CA2CA9CA12CA14
SCHEMBL13012368 0.81 CA2 (0.75) CA1CA2CA9CA12CA14
SCHEMBL13042138 0.81 CA2 (0.75) CA1CA2CA9CA12CA14
SCHEMBL3778667 0.81 CA2 (0.53) CA1CA2CA9CA12CA14
SCHEMBL3778666 0.81 CA2 (0.53) CA1CA2CA9CA12CA14
SCHEMBL3742978 0.80 CA2 (0.50) CA1CA2CA9CA12CA14

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-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 — — US claimed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 — — US 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
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-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-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 — — 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 CA1 5/4885CA2 9/4885CA9 1/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CA1 5/4885CA2 9/4885CA9 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.