SCHEMBL22316501

SCHEMBL22316501

N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
GSTK1 Q9Y2Q3 1/20 0.58
GLO1 Q04760 2/20 0.57
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GSR P00390 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42

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
SCHEMBL22111145 1.00 PTGS1 (0.58) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL22111140 0.93 PTGS1 (0.53) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29586584 0.92 PTGS1 (0.53) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29526403 0.91 PTGS1 (0.56) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29526252 0.91 PTGS1 (0.56) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29695437 0.90 PTGS1 (0.51) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL30099681 0.90 PTGS1 (0.51) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL30292792 0.89 PTGS1 (0.52) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL173099 0.89 PTGS1 (0.55) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29384215 0.89 PTGS1 (0.55) PTGS1GSTK1GLO1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 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-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA PTGS1 4092/4885GSTK1 1674/4885GLO1 3803/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA PTGS1 4092/4885GSTK1 1674/4885GLO1 3803/4885

“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.