SCHEMBL2832354

SCHEMBL2832354

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN(Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.37
FOLH1 Q04609 7/20 0.37
TDP1 Q9NUW8 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL16580122 0.95 FOLH1 (0.38) SIRT2FOLH1MEN1KMT2A
SCHEMBL13339088 0.95 SIRT2 (0.36) SIRT2FOLH1TDP1MEN1KMT2A
SCHEMBL2495998 0.92 FOLH1 (0.38) SIRT2FOLH1TDP1MEN1KMT2A
SCHEMBL17997540 0.92 FOLH1 (0.33) SIRT2FOLH1TDP1MEN1KMT2A
SCHEMBL15501039 0.92 FPR2 (0.32) FOLH1TDP1MEN1KMT2AATM
SCHEMBL9982656 0.91 FOLH1 (0.47) FOLH1
SCHEMBL14674925 0.91 FOLH1 (0.34) SIRT2FOLH1TDP1MEN1KMT2A
SCHEMBL1742288 0.91 TDP1 (0.34) FOLH1TDP1MEN1KMT2APOLB
SCHEMBL2830839 0.89 FOLH1 (0.41) SIRT2FOLH1TDP1MEN1KMT2A
SCHEMBL17690558 0.89 FOLH1 (0.35) FOLH1TDP1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433594-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-9433594-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-9433594-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
EP-2389361-B1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA MOLECULAR INSIGHT PHARM INC (US) 2016-08-24 EP disclosed
EP-2389361-B1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA MOLECULAR INSIGHT PHARM INC (US) 2016-08-24 EP disclosed
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-04 US disclosed
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-04 US disclosed
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-04 US disclosed
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
US-8562945-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-10-22 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-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-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-22 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-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
WO-2010065902-A2 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 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 (3 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 SIRT2 3821/4885FOLH1 4/4885TDP1 3443/4885
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 SIRT2 1801/4885FOLH1 283/4885TDP1 2624/4885
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 SIRT2 3323/4885FOLH1 216/4885TDP1 3374/4885

“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.