SCHEMBL21637706

SCHEMBL21637706

CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.40
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ CTSB P07858 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ REN P00797 1/20 0.37
▸ BDKRB2 P30411 1/20 0.37
▸ XIAP P98170 1/20 0.36
▸ MLX Q9UH92 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36

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
SCHEMBL30872271 0.82 CAPN1 (0.42) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL30185030 0.82 BDKRB2 (0.46) CAPN1ITGB3ITGA2BF2OPRM1
SCHEMBL30708106 0.79 CAPN1 (0.45) CAPN1CTSBF2RENXIAP
SCHEMBL12456874 0.78 CAPN1 (0.43) CAPN1CTSBF2RENACE
SCHEMBL21816859 0.78 PEPD (0.49) CAPN1F2RENACEPREP
SCHEMBL31206788 0.77 APLNR (0.42) CAPN1F2OPRM1OPRD1REN
SCHEMBL29541526 0.77 ITGB3 (0.40) CAPN1ITGB3ITGA2BCTSBF2
SCHEMBL21581703 0.76 CAPN1 (0.45) CAPN1CTSBF2OPRM1OPRD1
SCHEMBL26454162 0.76 CAPN1 (0.45) CAPN1CTSBF2OPRM1OPRD1
SCHEMBL21581704 0.75 FKBP5 (0.44) CAPN1CTSBF2OPRM1OPRD1

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-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2021-06-24 — — US disclosed
WO-2020018434-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2020-01-23 — — 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 (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-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK MSR1, CD68, CD209 CAPN1 2208/4885ITGB3 629/4885ITGA2B 603/4885

“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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