SCHEMBL20888357

SCHEMBL20888357

CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ OPRD1 P41143 4/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CALCRL Q16602 2/20 0.37
▸ CD4 P01730 1/20 0.37
▸ RAMP1 O60894 1/20 0.37

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
SCHEMBL5367473 0.84 PTPN1 (0.41) RENNTSR1OPRD1PTPN1
SCHEMBL2946630 0.83 FAP (0.40) NTSR1ELANEOPRD1CALCRLRAMP1
SCHEMBL5367479 0.83 F2 (0.42) RENNTSR1OPRD1
SCHEMBL31558763 0.82 F2 (0.46) RENNTSR1OPRD1CMA1
SCHEMBL29814554 0.80 PTPN1 (0.43) RENNTSR1PTPN1
SCHEMBL29401177 0.78 CMA1 (0.43) RENPTPN1CMA1KMT2A
SCHEMBL29706165 0.77 XIAP (0.46) ELANECMA1KMT2A
SCHEMBL15006480 0.77 REN (0.44) RENNTSR1OPRD1PTPN1KMT2A
SCHEMBL30143372 0.76 KMT2A (0.47) KMT2A
SCHEMBL31113348 0.76 PSMB9 (0.46) OPRD1KMT2A

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
EP-3691779-B1 USE OF A COPOLYMER FOR THE STABILISATION OF AN EMULSION UNIV BORDEAUX (FR) 2023-06-07 — — EP disclosed
US-20210069118-A1 NEW POLYMERIC EMULSIFIER AND USES THEREOF FOR THE ENCAPSULATION OF HYDROPHOBIC OR HYDROPHILIC ACTIVE COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-03-11 — — US disclosed
WO-2019068936-A1 NEW POLYMERIC EMULSIFIER AND USES THEREOF FOR THE ENCAPSULATION OF HYDROPHOBIC OR HYDROPHILIC ACTIVE COMPOUNDS UNIVERSITÉ DE BORDEAUX (FR) 2019-04-11 — — 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 (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-20210069118-A1 NEW POLYMERIC EMULSIFIER AND USES THEREOF FOR THE ENCAPSULATION OF HYDROPHOBIC OR HYDROPHILIC ACTIVE COMPOUNDS LIPA, IDUA, IDE REN 2008/4885NTSR1 1330/4885ELANE 194/4885

“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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