Sugi Predict

Sugi Predict / Compounds / SCHEMBL587179

SCHEMBL587179

SCHEMBL587179

CCC(C)C(C(=O)O)N(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ ACE P12821 3/20 0.38
▸ MME P08473 2/20 0.38
▸ CPA1 P15085 2/20 0.38
▸ ACE2 Q9BYF1 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ SLC7A5 Q01650 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HRH1 P35367 2/20 0.32
▸ AKR1A1 P14550 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL5596006 1.00 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL587180 1.00 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL31295617 1.00 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL26910411 0.82 ALDH1A1 (0.37) ALDH1A1ACEMMECPA1ACE2
SCHEMBL196729 0.81 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL3149648 0.81 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL14889910 0.81 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL196730 0.81 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL3527314 0.81 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL23174419 0.79 HTR2A (0.41) ALDH1A1ACEMMECPA1ACE2

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 159 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661938-B1 NOVEL METHOD FOR SYNTHESIZING AMANITINS HEIDELBERG PHARMA RES GMBH (DE) 2025-01-15 — — EP claimed
WO-2024243706-A1 AMATOXIN ANALOGS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-12-05 — — WO claimed
CN-111432844-B PSMA-targeting amanitine conjugates 海德堡医药研究有限责任公司 2023-10-27 — — CN claimed
EP-3684416-B1 PSMA-TARGETING AMANITIN CONJUGATES HEIDELBERG PHARMA RES GMBH (DE) 2023-03-15 — — EP claimed
CN-115715294-A Method for synthesizing thioether-containing peptides 海德堡医药研究有限责任公司 2023-02-24 — — CN claimed
US-20220298219-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-09-22 — — US claimed
US-20210024605-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2021-01-28 — — US claimed
US-20200345807-A1 PSMA-TARGETING AMANITIN CONJUGATES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2020-11-05 — — US claimed
EP-3684416-A1 PSMA-TARGETING AMANITIN CONJUGATES Heidelberg Pharma Research GmbH (DE) 2020-07-29 — — EP claimed
CN-111432844-A Amanitine conjugates targeting PSMA 海德堡医药研究有限责任公司 2020-07-17 — — CN claimed
WO-2019057964-A1 PSMA-TARGETING AMANITIN CONJUGATES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2019-03-28 — — WO claimed
US-9982018-B2 Amatoxin derivatives HEIDELBERG PHARMA GMBH (DE) 2018-05-29 — — US claimed
US-9676702-B2 Methods for synthesizing amatoxin building block and amatoxins HEIDELBERG PHARMA GMBH (DE) 2017-06-13 — — US claimed
US-9630907-B2 — — 2017-04-25 — — US claimed
EP-2872479-B1 METHODS FOR SYNTHESIZING AMATOXIN BUILDING BLOCK AND AMATOXINS HEIDELBERG PHARMA GMBH (DE) 2016-06-08 — — EP claimed
US-20150210628-A1 METHODS FOR SYNTHESIZING AMATOXIN BUILDING BLOCK AND AMATOXINS HEIDELBERG PHARMA GMBH (DE) 2015-07-30 — — US claimed
EP-2872479-A1 METHODS FOR SYNTHESIZING AMATOXIN BUILDING BLOCK AND AMATOXINS Heidelberg Pharma GmbH (DE) 2015-05-20 — — EP claimed
CN-104470891-A Method for synthesizing amatoxin building block and amatoxin HEIDELBERG PHARMA GMBH 2015-03-25 — — CN claimed
WO-2014009025-A1 METHODS FOR SYNTHESIZING AMATOXIN BUILDING BLOCK AND AMATOXINS HEIDELBERG PHARMA GMBH (DE) 2014-01-16 — — WO claimed
EP-2684865-A1 Methods for synthesizing amatoxin building block and amatoxins Heidelberg Pharma GmbH (DE) 2014-01-15 — — EP claimed

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-20200345807-A1 PSMA-TARGETING AMANITIN CONJUGATES FOLH1, ANPEP, PSMA6 ALDH1A1 2847/4885ACE 1373/4885MME 139/4885
US-20220298219-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH MC3R, MC5R, MC4R ALDH1A1 4702/4885ACE 3135/4885MME 128/4885
US-20150210628-A1 METHODS FOR SYNTHESIZING AMATOXIN BUILDING BLOCK AND AMATOXINS MEP1B, VIP, NMBR ALDH1A1 3899/4885ACE 1055/4885MME 772/4885
US-20210024605-A1 CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH MC3R, MC5R, MC4R ALDH1A1 4702/4885ACE 3135/4885MME 128/4885

“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.