SCHEMBL20550214

SCHEMBL20550214

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.53
▸ CTSB P07858 2/20 0.53
▸ TACR1 P25103 2/20 0.51
▸ DPP3 Q9NY33 3/20 0.50
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ SORT1 Q99523 1/20 0.49
▸ ECE1 P42892 2/20 0.49
▸ KISS1R Q969F8 3/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ GHSR Q92847 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
SCHEMBL20504636 1.00 CAPN1 (0.53) CAPN1CTSBTACR1DPP3NTSR2
SCHEMBL20550224 0.90 ECE1 (0.47) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL21360939 0.89 CAPN1 (0.61) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL20504595 0.86 ECE1 (0.47) CAPN1CTSBTACR1ECE1
SCHEMBL20504594 0.86 ECE1 (0.47) CAPN1CTSBTACR1ECE1
SCHEMBL13226652 0.85 CAPN1 (0.54) CAPN1CTSBTACR1DPP3KISS1R
SCHEMBL30921659 0.84 NTSR2 (0.60) CAPN1CTSBTACR1DPP3NTSR2
SCHEMBL12890377 0.83 TACR1 (0.51) CAPN1CTSBTACR1DPP3GHSR
SCHEMBL23273239 0.83 NTSR2 (0.60) CAPN1CTSBTACR1DPP3NTSR2
SCHEMBL30921658 0.82 ITGB2 (0.65) TACR1DPP3

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 5 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
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
US-10414797-B2 Gelatinase inhibitors and use thereof IPROTEOS S.L (ES) 2019-09-17 — — US disclosed
US-20180319839-A1 GELATINASE INHIBITORS AND USE THEREOF IPROTEOS S.L (ES) 2018-11-08 — — 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-10414797-B2 Gelatinase inhibitors and use thereof MMP8, SERPINE1, MMP9 CAPN1 460/4885CTSB 439/4885TACR1 3901/4885
US-20180319839-A1 GELATINASE INHIBITORS AND USE THEREOF MMP8, SERPINE1, MMP9 CAPN1 460/4885CTSB 439/4885TACR1 3901/4885

“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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