SCHEMBL7260360

SCHEMBL7260360

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc2ccc(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.52
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
ATM Q13315 1/20 0.46
TPSAB1 Q15661 2/20 0.45
CTSL P07711 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSS P25774 1/20 0.44
SIRT5 Q9NXA8 2/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 2/20 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
SCHEMBL7260872 0.97 PTGER4 (0.49) PTGER4ITGB3ITGAVATMCTSL
SCHEMBL7358758 0.84 PTGER4 (0.58) PTGER4ITGB3ITGAVTPSAB1CTSL
SCHEMBL4413420 0.84 PTGER4 (0.58) PTGER4ITGB3ITGAVTPSAB1CTSL
SCHEMBL6887132 0.84 NPY4R (0.48)
SCHEMBL5419016 0.81 PTGER4 (0.55) PTGER4ITGB3ITGAVTPSAB1CTSL
SCHEMBL8495773 0.81 PTGER4 (0.55) PTGER4ITGB3ITGAVTPSAB1CTSL
SCHEMBL7355085 0.81 PTGER4 (0.55) PTGER4ITGB3ITGAVTPSAB1CTSL
SCHEMBL11411256 0.81 CTSL (0.56) PTGER4ITGB3ITGAVCTSLCTSS
SCHEMBL24838023 0.80 CA1 (0.58) PTGER4TPSAB1CTSLSMN1; SMN2CTSS
SCHEMBL7698946 0.80 PTGER4 (0.53) PTGER4CTSLCTSSSIRT5

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-20030133972-A1 Targeted multivalent macromolecules TARGESOME, INC. 2003-07-17 US disclosed
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity TARGESOME, INC. 2003-07-10 US disclosed
WO-1999057273-A2 CYTOPLASMIC ANTIPROTEINASE-3 CODING SEQUENCE IN GENE THERAPY ZYMOGENETICS (US) 1999-11-11 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 (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-20030133972-A1 Targeted multivalent macromolecules CLTB, ILK, CD44 PTGER4 4852/4885ITGB3 290/4885ITGAV 72/4885
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity CD47, TSG101, ILK PTGER4 4447/4885ITGB3 831/4885ITGAV 207/4885

“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.