SCHEMBL8139788

SCHEMBL8139788

C=CCOC(=O)N[C@@H](CSCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 14/20 0.48
▸ SLC17A5 Q9NRA2 1/20 0.47
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CASP3 P42574 1/20 0.41

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
SCHEMBL6989365 1.00 CASP1 (0.48) CASP1SLC17A5MDM4TP53ALDH1A1
SCHEMBL14063770 0.92 SLC17A5 (0.43) CASP1SLC17A5MDM4TP53ALDH1A1
SCHEMBL19888241 0.87 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3
SCHEMBL14063754 0.85 PPARA (0.58) CASP1SLC17A5MDM4TP53PPARG
SCHEMBL17633384 0.85 SLC17A5 (0.49) CASP1SLC17A5MDM4TP53CASP3
SCHEMBL13716717 0.84 SLC17A5 (0.48) CASP1SLC17A5MDM4TP53CASP3
SCHEMBL12707588 0.83 SLC17A5 (0.47) SLC17A5MDM4TP53PPARGPPARA
SCHEMBL2399667 0.83 SLC17A5 (0.47) SLC17A5MDM4TP53PPARGPPARA
SCHEMBL28259215 0.83 MDM4 (0.50) CASP1SLC17A5MDM4TP53CASP3
SCHEMBL28259217 0.83 MDM4 (0.50) CASP1SLC17A5MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931083-A4 PROCESS FOR PRODUCING ECTEINASCIDIN COMPOUNDS HARVARD COLLEGE (US) 2000-05-24 — — EP claimed
EP-0931083-A1 PROCESS FOR PRODUCING ECTEINASCIDIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-07-28 — — EP claimed
WO-1998012198-A1 PROCESS FOR PRODUCING ECTEINASCIDIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-03-26 — — WO claimed
US-12122784-B2 Preparation method for ecteinascidin compound and intermediate thereof BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2024-10-22 — — US disclosed
EP-3842438-B1 PREPARATION METHOD FOR ECTEINASCIDIN COMPOUND AND INTERMEDIATE THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2023-11-08 — — EP disclosed
CN-111518110-B Preparation method of ecteinascidin compound and intermediate thereof 博瑞生物医药(苏州)股份有限公司 2023-11-03 — — CN disclosed
US-20210355132-A1 PREPARATION METHOD FOR ECTEINASCIDIN COMPOUND AND INTERMEDIATE THEREOF UNIVERSITÉ PARIS CITÉ (FR) 2021-11-18 — — US disclosed
EP-3842438-A1 PREPARATION METHOD FOR ECTEINASCIDIN COMPOUND AND INTERMEDIATE THEREOF Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2021-06-30 — — EP disclosed
CN-111518110-A Preparation method of ecteinascidin compound and intermediate thereof 博瑞生物医药(苏州)股份有限公司 2020-08-11 — — CN disclosed
WO-2020155613-A1 PREPARATION METHOD FOR ECTEINASCIDIN COMPOUND AND INTERMEDIATE THEREOF 博瑞生物医药(苏州)股份有限公司 2020-08-06 — — 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 (2 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-20210355132-A1 PREPARATION METHOD FOR ECTEINASCIDIN COMPOUND AND INTERMEDIATE THEREOF TMED9, EMD, ENTPD8 CASP1 3200/4885SLC17A5 808/4885MDM4 2890/4885
US-12122784-B2 Preparation method for ecteinascidin compound and intermediate thereof TMED9, EMD, ENTPD8 CASP1 3200/4885SLC17A5 808/4885MDM4 2890/4885

“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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