SCHEMBL1600752

SCHEMBL1600752

NC(=O)CC[C@@H]([C]=O)NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
DPP8 Q6V1X1 2/20 0.49
DPP9 Q86TI2 2/20 0.49
BLM P54132 2/20 0.46
ALOX15 P16050 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GSR P00390 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIK1 P39086 1/20 0.43
GRM5 P41594 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43

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
SCHEMBL77560 0.94 DPP8 (0.54) DPP4DPP8DPP9BLMALOX15
SCHEMBL77561 0.94 DPP8 (0.54) DPP4DPP8DPP9BLMALOX15
SCHEMBL9142314 0.94 DPP4 (0.54) DPP4DPP8DPP9BLMKMT2A
SCHEMBL2194678 0.93 BMP1 (0.44) DPP4DPP8DPP9BLMALOX15
SCHEMBL16468888 0.91 DPP4 (0.42) DPP4DPP8DPP9BLMALOX15
SCHEMBL3065570 0.87 DPP4 (0.45) DPP4DPP8DPP9CTSDBACE1
SCHEMBL2182616 0.87 DPP4 (0.46) DPP4DPP8DPP9BLMALOX15
SCHEMBL2182740 0.86 BACE1 (0.45) DPP4DPP8DPP9BMP1CTSD
SCHEMBL2182958 0.86 DPP4 (0.48) DPP4DPP8DPP9BLMALOX15
SCHEMBL9273038 0.86 DPP4 (0.48) DPP4DPP8DPP9BLMGRM8

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-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7919493-B2 A compound having a fused ecteinascidin five ring system with a 1,4 bridge; anticarcinogenic agent PHARMA MAR, S.A. (ES) 2011-04-05 US disclosed
US-20080146580-A1 Anititumoral Ecteinascidin Derivatives PHARMAMAR (ES) 2008-06-19 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 (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-20080146580-A1 Anititumoral Ecteinascidin Derivatives AREG, CD68, ASGR1 DPP4 3764/4885DPP8 3068/4885DPP9 2910/4885

“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.