SCHEMBL21360941

SCHEMBL21360941

CCC(C)C(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.70
▸ CASP1 P29466 1/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ CASP4 P49662 1/20 0.57
▸ CASP5 P51878 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ CASP9 P55211 1/20 0.57
▸ CASP6 P55212 1/20 0.57
▸ CASP8 Q14790 1/20 0.57
▸ CASP10 Q92851 1/20 0.57
▸ EDNRA P25101 1/20 0.57
▸ ECE1 P42892 5/20 0.54
▸ MMP9 P14780 7/20 0.50
▸ MMP8 P22894 7/20 0.50
▸ MMP1 P03956 2/20 0.50
▸ MMP3 P08254 2/20 0.50
▸ IL23R Q5VWK5 1/20 0.49
▸ MMP2 P08253 4/20 0.49
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48

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
SCHEMBL20504632 1.00 MAGI3 (0.70) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL20504633 1.00 MAGI3 (0.70) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL9069771 0.90 MAGI3 (0.77) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL7400882 0.88 EDNRA (0.71) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL7401288 0.87 MAGI3 (0.64) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL7401285 0.87 MAGI3 (0.64) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL7402345 0.86 EDNRA (0.64) MAGI3EDNRAECE1MMP9MMP8
SCHEMBL7402343 0.86 EDNRA (0.64) MAGI3EDNRAECE1MMP9MMP8
SCHEMBL9069770 0.85 MAGI3 (0.68) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL7400880 0.84 EDNRA (0.69) MAGI3CASP1CASP3CASP4CASP5

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
EP-3377515-B1 GELATINASE INHIBITORS AND USE THEREOF IPROTEOS S L (ES) 2019-10-30 — — EP disclosed
US-10414797-B2 Gelatinase inhibitors and use thereof IPROTEOS S.L (ES) 2019-09-17 — — 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-10414797-B2 Gelatinase inhibitors and use thereof MMP8, SERPINE1, MMP9 MAGI3 1277/4885CASP1 430/4885CASP3 1757/4885

“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.

Send feedback