SCHEMBL6560591

SCHEMBL6560591

CC(C)(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(Cc1ccc(NC(=O)CCN2C(=O)C=CC2=O)cc1)NC(C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 4/20 0.31
ATM Q13315 1/20 0.31
AKT1 P31749 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
MEN1 O00255 3/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL6560605 0.85 OPRM1 (0.35) RAB9ASMN1; SMN2POLBKMT2AATM
SCHEMBL6560847 0.85 KMT2A (0.35) RAB9APOLBKMT2AATMHPGD
SCHEMBL6560944 0.84 KMT2A (0.35) RAB9APOLBKMT2AATMHPGD
SCHEMBL6560942 0.83 KMT2A (0.36) SMN1; SMN2POLBKMT2AATMKDM4E
SCHEMBL440657 0.78 OPRM1 (0.34) RAB9ASMN1; SMN2POLBKMT2AATM
SCHEMBL440658 0.78 OPRM1 (0.34) RAB9ASMN1; SMN2POLBKMT2AATM
SCHEMBL8651451 0.75 OPRM1 (0.37) RAB9ASMN1; SMN2POLBKMT2AATM
SCHEMBL6562236 0.75 CA2 (0.33) CA1CA2
SCHEMBL6560873 0.74 HSD17B10 (0.34) HSD17B10OPRD1CYP3A4
SCHEMBL440659 0.73 OPRM1 (0.37) RAB9ASMN1; SMN2POLBKMT2AATM

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
EP-1397339-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2004-03-17 EP disclosed
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-10-16 US disclosed
WO-2003000647-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS SCHERING AG (DE) 2003-01-03 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 (1 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-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE RAB9A 3632/4885SMN1; SMN2 4616/4885POLB 733/4885

“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.