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Sugi Predict / Compounds / SCHEMBL20182380

SCHEMBL20182380

SCHEMBL20182380

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 3/20 0.64
▸ CTSL P07711 2/20 0.59
▸ CTSS P25774 1/20 0.59
▸ CTSK P43235 1/20 0.59
▸ TRPV1 Q8NER1 4/20 0.59
▸ TACR3 P29371 1/20 0.59
▸ NMBR P28336 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ IDO1 P14902 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ NOTUM Q6P988 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TACR1 P25103 2/20 0.57
▸ PTGS2 P35354 2/20 0.55

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
SCHEMBL29804661 1.00 SPR (0.64) SPRCTSLCTSSCTSKTRPV1
SCHEMBL29616348 1.00 SPR (0.64) SPRCTSLCTSSCTSKTRPV1
SCHEMBL28829086 1.00 SPR (0.64) SPRCTSLCTSSCTSKTRPV1
SCHEMBL7448187 0.89 CTSL (0.56) SPRCTSLCTSSCTSKNMBR
SCHEMBL4108869 0.86 ACE (0.62) CTSLCTSSCTSKMAPTKDM4E
SCHEMBL21292790 0.86 ACE (0.62) CTSLCTSSCTSKMAPTKDM4E
SCHEMBL4112957 0.86 ACE (0.62) CTSLCTSSCTSKMAPTKDM4E
SCHEMBL29804225 0.86 ACE (0.62) CTSLCTSSCTSKMAPTKDM4E
SCHEMBL798165 0.86 TRPV1 (0.70) SPRTRPV1MAPTKDM4EALDH1A1
SCHEMBL31077788 0.86 TRPV1 (0.70) SPRTRPV1MAPTKDM4EALDH1A1

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
US-20230124429-A1 Highly Efficient Myeloperoxidase Activatable Imaging Agents THE GENERAL HOSPITAL CORPORATION 2023-04-20 — — US disclosed
US-11352326-B2 Myeloperoxidase imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2022-06-07 — — US disclosed
WO-2021127013-A1 HIGHLY EFFICIENT MYELOPEROXIDASE ACTIVATABLE IMAGING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 2021-06-24 — — WO disclosed
US-20190315689-A1 Myeloperoxidase Imaging Agents THE GENERAL HOSPITAL CORPORATION 2019-10-17 — — US disclosed
WO-2018094005-A1 MYELOPEROXIDASE IMAGING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 2018-05-24 — — 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 (3 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-20230124429-A1 Highly Efficient Myeloperoxidase Activatable Imaging Agents MPO, CAT, EPX SPR 138/4885CTSL 225/4885CTSS 61/4885
US-20190315689-A1 Myeloperoxidase Imaging Agents MPO, CAT, EPX SPR 242/4885CTSL 133/4885CTSS 42/4885
US-11352326-B2 Myeloperoxidase imaging agents MPO, CAT, EPX SPR 242/4885CTSL 133/4885CTSS 42/4885

“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.