SCHEMBL15095083

SCHEMBL15095083

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)Cn1ccnc1C=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL15095085 0.88 FPR2 (0.30) FPR2
SCHEMBL15197279 0.83 FPR2 (0.39) FPR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL2498914 0.82 FPR2 (0.44) FPR2KDM4EALDH1A1
SCHEMBL15095084 0.80 FPR2 (0.33) FPR2
SCHEMBL4235144 0.80 SMN1; SMN2 (0.37) FPR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1740513 0.74 FPR2 (0.35) FPR2KDM4EALDH1A1POLB
SCHEMBL4963238 0.72 SMN1; SMN2 (0.40) FPR2KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL1740516 0.71 FPR2 (0.33) FPR2
SCHEMBL24574386 0.70 GRIN2B (0.39) ALDH1A1SMN1; SMN2POLB
SCHEMBL17049815 0.69 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2POLB

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 10 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-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-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-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
EP-2800471-A1 METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX Molecular Insight Pharmaceuticals (US) 2014-11-12 EP 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-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
WO-2013103813-A1 METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS (US) 2013-07-11 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 (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-20160009664-A1 METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX CA9, CA4, CA7 FPR2 4289/4885KDM4E 307/4885ALDH1A1 1768/4885
US-20130216477-A1 METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX CA9, CA4, CA7 FPR2 4307/4885KDM4E 284/4885ALDH1A1 1738/4885

“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.