SCHEMBL22064590

SCHEMBL22064590

CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C(NC(C)=O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.51
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SIRT2 Q8IXJ6 4/20 0.38
▸ SIRT1 Q96EB6 3/20 0.38
▸ SIRT3 Q9NTG7 3/20 0.38

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
SCHEMBL23344152 0.97 FURIN (0.50) FURINHTTSMN1; SMN2TP53PTPN2
SCHEMBL16847753 0.92 FURIN (0.43) FURINHTTSMN1; SMN2KMT2AMEN1
SCHEMBL19466303 0.91 FURIN (0.42) FURINHTTSMN1; SMN2KMT2AMEN1
SCHEMBL19466325 0.91 FURIN (0.42) FURINHTTSMN1; SMN2KMT2AMEN1
SCHEMBL27291528 0.91 FURIN (0.49) FURINHTTSMN1; SMN2TP53KMT2A
SCHEMBL20149172 0.90 FURIN (0.49) FURINHTTSMN1; SMN2TP53KMT2A
SCHEMBL26431147 0.90 HTT (0.46) FURINHTTSMN1; SMN2L3MBTL1POLB
SCHEMBL19591557 0.89 FURIN (0.49) FURINHTTSIRT2SIRT1
SCHEMBL22266602 0.89 ALB (0.43) FURINHTTSMN1; SMN2POLBSIRT5
SCHEMBL22541305 0.88 SIRT2 (0.44) FURINHTTSMN1; SMN2KMT2AMEN1

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
US-20230233703-A1 AMANITIN CONJUGATES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2023-07-27 — — US disclosed
US-11702451-B2 Method for synthesizing amanitins HEIDELBERG PHARMA RESEARCH GMBH (DE) 2023-07-18 — — US disclosed
US-11583569-B2 PSMA-targeting amanitin conjugates HEIDELBERG PHARMA RESEARCH GMBH (DE) 2023-02-21 — — US disclosed
US-11236059-B2 Targeted cytotoxic ratjadone derivatives and conjugates thereof HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2022-02-01 — — US disclosed
US-20210138081-A1 Amanitin Conjugates HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-05-13 — — US disclosed
US-20210130412-A1 METHOD FOR SYNTHESIZING AMANITINS HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-05-06 — — US disclosed
US-10961277-B2 Method for synthesizing amanitins HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-03-30 — — US disclosed
US-20200345807-A1 PSMA-TARGETING AMANITIN CONJUGATES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2020-11-05 — — US disclosed
US-20200239426-A1 TARGETED CYTOTOXIC RATJADONE DERIVATIVES AND CONJUGATES THEREOF HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2020-07-30 — — US disclosed
US-20200181200-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS HEIDELBERG PHARMA RESEARCH GMBH (DE) 2020-06-11 — — 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 (10 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-20230233703-A1 AMANITIN CONJUGATES CD47, MTX1, SIGLEC7 FURIN 1247/4885HTT 852/4885SMN1; SMN2 2480/4885
US-20200181200-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS CIAPIN1, ANXA5, AANAT FURIN 1388/4885HTT 90/4885SMN1; SMN2 4801/4885
US-20200345807-A1 PSMA-TARGETING AMANITIN CONJUGATES FOLH1, ANPEP, PSMA6 FURIN 257/4885HTT 1961/4885SMN1; SMN2 3323/4885
US-20210138081-A1 Amanitin Conjugates CD47, MTX1, SIGLEC7 FURIN 1247/4885HTT 852/4885SMN1; SMN2 2480/4885
US-10961277-B2 Method for synthesizing amanitins CIAPIN1, AANAT, ANXA5 FURIN 1537/4885HTT 44/4885SMN1; SMN2 4795/4885
US-11236059-B2 Targeted cytotoxic ratjadone derivatives and conjugates thereof PICALM, CD47, RABGGTB FURIN 1454/4885HTT 1921/4885SMN1; SMN2 3847/4885
US-20200239426-A1 TARGETED CYTOTOXIC RATJADONE DERIVATIVES AND CONJUGATES THEREOF PICALM, CD47, RABGGTB FURIN 1454/4885HTT 1921/4885SMN1; SMN2 3847/4885
US-11583569-B2 PSMA-targeting amanitin conjugates FOLH1, ANPEP, PSMA6 FURIN 257/4885HTT 1961/4885SMN1; SMN2 3323/4885
US-11702451-B2 Method for synthesizing amanitins CIAPIN1, AANAT, ANXA5 FURIN 1537/4885HTT 44/4885SMN1; SMN2 4795/4885
US-20210130412-A1 METHOD FOR SYNTHESIZING AMANITINS CIAPIN1, AANAT, ANXA5 FURIN 1537/4885HTT 44/4885SMN1; SMN2 4795/4885

“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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