SCHEMBL11930719

SCHEMBL11930719

CC(C)(C)N(Cc1nccn1CC(=O)O)Cc1nccn1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 8/20 0.42
▸ ALPG P10696 2/20 0.37
▸ PLAA Q9Y263 1/20 0.37
▸ ALPL P05186 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ESR1 P03372 1/20 0.33

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
SCHEMBL13377472 0.93 FPR2 (0.40) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL11930712 0.88 ALPG (0.37) FPR2ALPGPLAAALPLCA12
SCHEMBL11930718 0.86 ALPG (0.33) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL11930749 0.83 FPR2 (0.42) FPR2ALPGPLAAALPLCA12
SCHEMBL10260881 0.83 KDM4E (0.40) FPR2ALPGPLAAALPLCA12
SCHEMBL10292434 0.83 FPR2 (0.45) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL10261854 0.82 ALPG (0.34) ALPGPLAAALPLCA12CA1
SCHEMBL11930702 0.81 ALPG (0.35) FPR2ALPGPLAAALPLCA12
SCHEMBL22966386 0.81 FPR2 (0.40) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL11938341 0.80 FPR2 (0.43) FPR2ALPGPLAAALPLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422251-B2 Metal complexes of poly(carboxyl)amine-containing ligands having an affinity for carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-23 — — US disclosed
US-20160009664-A1 METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS (US) 2016-01-14 — — US disclosed
US-9120837-B2 Metal complexes of poly(carboxyl)amine-containing ligands having an affinity for carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-09-01 — — US disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 — — US disclosed
US-20130216477-A1 METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS (US) 2013-08-22 — — US disclosed
US-8211401-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof for inhibiting PSMA MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2012-07-03 — — US disclosed
US-8211401-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof for inhibiting PSMA MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2012-07-03 — — US disclosed
US-20100178246-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-15 — — US disclosed
US-20100178246-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-15 — — US disclosed
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 — — US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 — — US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 — — 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 (5 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-20100178246-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA PSMA1, PSMA5, PSMA3 FPR2 4575/4885ALPG 941/4885PLAA 1516/4885
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS SLC6A7, DNPEP, PREP FPR2 3813/4885ALPG 2197/4885PLAA 1385/4885
US-20160009664-A1 METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX CA9, CA4, CA7 FPR2 4289/4885ALPG 652/4885PLAA 1714/4885
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 FPR2 4804/4885ALPG 333/4885PLAA 1226/4885
US-20130216477-A1 METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX CA9, CA4, CA7 FPR2 4307/4885ALPG 522/4885PLAA 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.

Send feedback