SCHEMBL1271579

SCHEMBL1271579

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.60
▸ GHSR Q92847 5/20 0.59
▸ CASP1 P29466 1/20 0.59
▸ CASP3 P42574 1/20 0.59
▸ CASP4 P49662 1/20 0.59
▸ CASP5 P51878 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ CASP9 P55211 1/20 0.59
▸ CASP6 P55212 1/20 0.59
▸ CASP8 Q14790 1/20 0.59
▸ CASP10 Q92851 1/20 0.59
▸ EDNRA P25101 1/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.54
▸ IL23R Q5VWK5 4/20 0.53
▸ GLP1R P43220 2/20 0.52
▸ CCKBR P32239 1/20 0.51

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
SCHEMBL29644906 0.88 GLP1R (0.58) MAGI3GHSRCASP1CASP3CASP4
SCHEMBL29644907 0.88 GLP1R (0.58) MAGI3GHSRCASP1CASP3CASP4
SCHEMBL29427175 0.87 MAGI3 (0.59) MAGI3EDNRAERBB2GLP1R
SCHEMBL7400880 0.86 EDNRA (0.69) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL31006926 0.86 MAGI3 (0.57) MAGI3EDNRAERBB2GLP1R
SCHEMBL25549782 0.86 GHSR (0.59) MAGI3GHSRCASP1CASP3CASP4
SCHEMBL30533191 0.85 EDNRA (0.61) MAGI3GHSRCASP1CASP3CASP4
Kqikiwfqnkkmkwkk-Nh2 SCHEMBL31748869 0.85 PTH1R (0.60) GHSRRXFP1IL23R
SCHEMBL7400882 0.85 EDNRA (0.71) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL16507971 0.84 MAGI3 (0.55) MAGI3GHSRCASP1CASP3CASP4

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-20110038885-A1 CHEMOKINE ANALOGS IPSEN PHARMA S.A.S. (FR) 2011-02-17 — — US claimed
US-20110038885-A1 CHEMOKINE ANALOGS IPSEN PHARMA S.A.S. (FR) 2011-02-17 — — 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-20110038885-A1 CHEMOKINE ANALOGS CCL11, CCL5, CCL2 MAGI3 4029/4885GHSR 1207/4885CASP1 3409/4885

“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.

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