SCHEMBL14674656

SCHEMBL14674656

C#CCOc1ccc(CN(CCCCCC(=O)O)Cc2nccn2CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CXCR4 P61073 2/20 0.32
RXRA P19793 3/20 0.32
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 1/20 0.32
ALOX5 P09917 1/20 0.32
CYP19A1 P11511 1/20 0.31
NPC1L1 Q9UHC9 1/20 0.30
NR1D1 P20393 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
BCHE P06276 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL14674855 0.92 GABRA1 (0.35) PPARGPPARAGABRA1GABRB2CXCR4
SCHEMBL16374660 0.88 CXCR4 (0.33) PPARGPPARACXCR4RXRANR1H2
SCHEMBL2834770 0.88 TBXAS1 (0.31) CXCR4RXRANR1H2NR1H3
SCHEMBL14701619 0.87 PPARG (0.34) PPARGPPARAGABRA1GABRB2CXCR4
SCHEMBL14674925 0.82 FOLH1 (0.34)
SCHEMBL16374705 0.80 FPR2 (0.35) CXCR4RXRANR1H2NR1H3BCHE
SCHEMBL2832286 0.79 FPR2 (0.35) CXCR4
SCHEMBL15197282 0.78 FPR2 (0.35)
SCHEMBL15199007 0.77 CA1 (0.44) TSHR
Bicarbonate SCHEMBL17685157 0.76 FPR2 (0.33) CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505192-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS Molecular Insight Pharmaceuticals, Inc. (US) 2019-07-03 EP disclosed
EP-3505192-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS Molecular Insight Pharmaceuticals, Inc. (US) 2019-07-03 EP disclosed
EP-2739316-B1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARM INC (US) 2019-04-10 EP disclosed
EP-2739316-B1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARM INC (US) 2019-04-10 EP disclosed
US-9388144-B2 Radiolabeled prostate specific membrane antigen inhibitors MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388144-B2 Radiolabeled prostate specific membrane antigen inhibitors MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150078998-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-03-19 US disclosed
US-20150078998-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-03-19 US disclosed
US-8926944-B2 Radiolabeled prostate specific membrane antigen inhibitors MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-01-06 US disclosed
US-8926944-B2 Radiolabeled prostate specific membrane antigen inhibitors MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-01-06 US disclosed
EP-2739316-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS Molecular Insight Pharmaceuticals (US) 2014-06-11 EP disclosed
WO-2013022797-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS (US) 2013-02-14 WO disclosed
US-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS 2013-02-07 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-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, PSMA1 PPARG 2719/4885PPARA 3441/4885GABRA1 3233/4885
US-20150078998-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, PSMA2 PPARG 2445/4885PPARA 3087/4885GABRA1 2347/4885

“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.