SCHEMBL30603858

SCHEMBL30603858

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 3/20 0.53
▸ RAMP1 O60894 1/20 0.53
▸ OPRD1 P41143 4/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ F2 P00734 1/20 0.51
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50

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
Thymoctonan SCHEMBL1230532 0.90 REN (0.52) CALCRLRAMP1OPRD1KEAP1F2
Thymoctonan SCHEMBL15532000 0.90 REN (0.52) CALCRLRAMP1OPRD1KEAP1F2
SCHEMBL29546599 0.90 CALCRL (0.53) CALCRLRAMP1KEAP1
SCHEMBL29579500 0.89 CALCRL (0.59) CALCRLRAMP1OPRD1F2NTSR2
SCHEMBL29471358 0.88 CALCRL (0.54) CALCRLRAMP1KEAP1
SCHEMBL29580071 0.88 CALCRL (0.61) CALCRLRAMP1OPRD1
SCHEMBL30259604 0.87 REN (0.53) CALCRLRAMP1OPRD1F2NTSR2
SCHEMBL30088927 0.87 BACE1 (0.55) CALCRLRAMP1
SCHEMBL30923399 0.87 SLC6A2 (0.58) CALCRLOPRD1F2NTSR2NTSR1
SCHEMBL29579417 0.86 CALCRL (0.62) CALCRLRAMP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214981-A1 COMPOUND AND APPLICATION THEREOF IN PREPARATION OF MEDICINE FOR TREATING ENTEROVIRUS-RELATED DISEASES SHANGHAITECH UNIVERSITY (CN) 2025-07-03 — — US disclosed
EP-4509503-A1 COMPOUND AND APPLICATION THEREOF IN PREPARATION OF MEDICINE FOR TREATING ENTEROVIRUS-RELATED DISEASES ShanghaiTech University (CN) 2025-02-19 — — EP disclosed
CN-118922415-A Compound and application thereof in preparation of medicines for treating enterovirus-related diseases 上海科技大学 2024-11-08 — — CN disclosed
WO-2023198067-A1 COMPOUND AND APPLICATION THEREOF IN PREPARATION OF MEDICINE FOR TREATING ENTEROVIRUS-RELATED DISEASES 上海科技大学 2023-10-19 — — 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-20250214981-A1 COMPOUND AND APPLICATION THEREOF IN PREPARATION OF MEDICINE FOR TREATING ENTEROVIRUS-RELATED DISEASES TMPRSS15, VIP, GTF3C4 CALCRL 2704/4885RAMP1 1849/4885OPRD1 4777/4885

“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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