SCHEMBL21050812

SCHEMBL21050812

COC(=O)[C@@H](C)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.63
CTSK P43235 6/20 0.57
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
CTSB P07858 7/20 0.55
CTSL P07711 6/20 0.55
CTSS P25774 3/20 0.54
KYNU Q16719 1/20 0.54

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
SCHEMBL13735151 1.00 CAPN1 (0.63) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL28551469 1.00 CAPN1 (0.63) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL30082499 1.00 CAPN1 (0.63) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL13735150 1.00 CAPN1 (0.63) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL17959489 0.90 CAPN1 (0.72) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL17959487 0.90 CAPN1 (0.72) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL10969199 0.90 CAPN1 (0.72) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL6831659 0.90 KYNU (0.59) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL6826924 0.90 KYNU (0.59) CAPN1CTSKALDH1A1ALOX15CTSB
SCHEMBL1760460 0.90 KYNU (0.59) CAPN1CTSKALDH1A1ALOX15CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4714953-A1 MELANOCORTIN 2-TYPE RECEPTOR ANTAGONIST Scohia Pharma, Inc. (JP) 2026-03-25 EP disclosed
WO-2024237266-A1 MELANOCORTIN 2-TYPE RECEPTOR ANTAGONIST 株式会社スコヒアファーマ 2024-11-21 WO disclosed
CN-114040914-B Quinazolinone derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-10-22 CN disclosed
CN-115916790-A Pyrido [2,3-b ] [1,4] oxazines or tetrahydropyrido [2,3-b ] [1,4] oxazepines as IAP antagonists 百济神州有限公司 2023-04-04 CN disclosed
US-11407765-B2 Tetracyclic heteroaryl compounds ASTRAZENECA, AB (SE) 2022-08-09 US disclosed
CN-114040914-A Quinazolinone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-02-11 CN disclosed
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2021-07-22 US disclosed
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2021-07-22 US disclosed
EP-3790884-A1 TETRACYCLIC HETEROARYL COMPOUNDS Astrazeneca AB (SE) 2021-03-17 EP disclosed
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 WO disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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 (4 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 CAPN1 4648/4885CTSK 2917/4885ALDH1A1 26/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 CAPN1 4648/4885CTSK 2917/4885ALDH1A1 26/4885
US-20210221823-A1 TETRACYCLIC HETEROARYL COMPOUNDS CCNI, MCL1, MKI67 CAPN1 4703/4885CTSK 1892/4885ALDH1A1 520/4885
US-11407765-B2 Tetracyclic heteroaryl compounds CCNI, MCL1, MKI67 CAPN1 4703/4885CTSK 1892/4885ALDH1A1 520/4885

“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.