Sugi Predict

Sugi Predict / Compounds / SCHEMBL3734875

SCHEMBL3734875

SCHEMBL3734875

COC(=O)C(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H](Cc1ccc(OCCF)cc1)n1cc(COc2ccc3nc(S(N)(=O)=O)sc3c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 17/20 0.41
▸ CA2 P00918 17/20 0.41
▸ CA4 P22748 3/20 0.41
▸ MAPT P10636 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ YAP1 P46937 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37

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
SCHEMBL3734877 1.00 CA1 (0.41) CA1CA2CA4MAPTCA12
SCHEMBL13012180 1.00 CA1 (0.41) CA1CA2CA4MAPTCA12
SCHEMBL3734874 1.00 CA1 (0.41) CA1CA2CA4MAPTCA12
SCHEMBL3734673 0.94 CA1 (0.42) CA1CA2CA4CA12CA7
SCHEMBL3734677 0.94 CA1 (0.42) CA1CA2CA4CA12CA7
SCHEMBL3740196 0.94 CA1 (0.42) CA1CA2CA4CA12CA7
SCHEMBL3737706 0.94 CA1 (0.42) CA1CA2CA4CA12CA7
SCHEMBL3732876 0.92 CA2 (0.38) CA1CA2CA4MAPTCA12
SCHEMBL3732877 0.92 CA2 (0.38) CA1CA2CA4MAPTCA12
SCHEMBL3730041 0.90 CA2 (0.43) CA1CA2CA4CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 5/4885CA2 9/4885CA4 2/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CA1 5/4885CA2 9/4885CA4 2/4885

“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.