Sugi Predict

Sugi Predict / Compounds / SCHEMBL3740864

SCHEMBL3740864

SCHEMBL3740864

CC(C)C(C(=O)NCc1ccc(C(F)(F)F)cc1)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.78
▸ CA1 P00915 8/20 0.78
▸ CA7 P43166 7/20 0.78
▸ CA9 Q16790 6/20 0.78
▸ CA12 O43570 4/20 0.78
▸ CA14 Q9ULX7 4/20 0.78
▸ CA3 P07451 3/20 0.78
▸ CA4 P22748 3/20 0.78
▸ CA6 P23280 3/20 0.78
▸ CA5A P35218 3/20 0.78
▸ CA13 Q8N1Q1 3/20 0.78
▸ CA5B Q9Y2D0 3/20 0.78
▸ PTGS2 P35354 5/20 0.51
▸ OPRD1 P41143 1/20 0.46
▸ P2RY14 Q15391 1/20 0.46
▸ ELANE P08246 1/20 0.43

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
SCHEMBL3740859 1.00 CA2 (0.78) CA2CA1CA7CA9CA12
SCHEMBL3737727 0.90 CA2 (0.82) CA2CA1CA7CA9CA12
SCHEMBL3737724 0.90 CA2 (0.82) CA2CA1CA7CA9CA12
SCHEMBL13042266 0.89 CA2 (0.84) CA2CA1CA7CA9CA12
SCHEMBL3732449 0.88 CA2 (1.00) CA2CA1CA7CA9CA12
SCHEMBL13012377 0.88 CA2 (1.00) CA2CA1CA7CA9CA12
SCHEMBL3732451 0.88 CA2 (1.00) CA2CA1CA7CA9CA12
SCHEMBL13012371 0.84 CA2 (0.73) CA2CA1CA7CA9CA12
SCHEMBL3727916 0.84 CA2 (0.73) CA2CA1CA7CA9CA12
SCHEMBL3727914 0.84 CA2 (0.73) CA2CA1CA7CA9CA12

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 6 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
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 CA2 9/4885CA1 5/4885CA7 6/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CA2 9/4885CA1 5/4885CA7 6/4885

“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.