SCHEMBL11930752

SCHEMBL11930752

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)Cn1ccnc1CN(Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.34
ALPG P10696 2/20 0.31
PLAA Q9Y263 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ALPL P05186 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11930749 0.88 FPR2 (0.42) FPR2ALPGPLAAOPRD1OPRK1
SCHEMBL11937134 0.87 FPR2 (0.34) FPR2ALPGPLAAOPRD1OPRK1
SCHEMBL11930753 0.87 FPR2 (0.40) FPR2ALPGPLAAOPRD1OPRK1
SCHEMBL11930718 0.85 ALPG (0.33) FPR2ALPGPLAAALPLKDM4E
SCHEMBL10260881 0.83 KDM4E (0.40) FPR2ALPGPLAAALPLKDM4E
SCHEMBL13341028 0.82 FPR2 (0.36) FPR2ALPGPLAAALPL
SCHEMBL10261192 0.82 POLB (0.41) FPR2ALPGPLAAALPLKDM4E
SCHEMBL2834770 0.80 TBXAS1 (0.31) FPR2
SCHEMBL11930712 0.80 ALPG (0.37) FPR2ALPGPLAAOPRK1ALPL
SCHEMBL1742304 0.80 FPR2 (0.32) FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 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-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

“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.