SCHEMBL20723655

SCHEMBL20723655

CC(C)(C)OC(=O)NC(Cc1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.64
PTPRA P18433 1/20 0.60
CYP2C19 P33261 1/20 0.58
ACE P12821 2/20 0.57
ITGB2 P05107 1/20 0.55
ICAM1 P05362 1/20 0.55
ITGAL P20701 1/20 0.55
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
TACR1 P25103 2/20 0.51
DNMT1 P26358 1/20 0.51
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL30076272 1.00 SCN9A (0.64) SCN9APTPRACYP2C19ACEITGB2
SCHEMBL20723654 1.00 SCN9A (0.64) SCN9APTPRACYP2C19ACEITGB2
SCHEMBL4171190 0.92 ACE (0.57) SCN9APTPRAACEITGB2ICAM1
SCHEMBL22091572 0.85 SCN9A (0.69) SCN9AACECTSLCTSSCTSK
SCHEMBL29842668 0.85 SCN9A (0.69) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL22734264 0.85 SCN9A (0.69) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL22734263 0.85 SCN9A (0.69) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL22091571 0.85 SCN9A (0.69) SCN9AACECTSLCTSSCTSK
SCHEMBL23051916 0.84 SCN9A (0.68) SCN9AACEITGB2ICAM1ITGAL
SCHEMBL8502043 0.84 SCN9A (0.68) SCN9AACEITGB2ICAM1ITGAL

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 9 patents. 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 disclosed
US-11926631-B2 Method of treating cancer using amanitin derivatives HEIDELBERG PHARMA RESEARCH GMBH (DE) 2024-03-12 US disclosed
CN-110997676-B Novel method for synthesizing amanitine 海德堡医药研究有限责任公司 2022-12-20 CN disclosed
US-20220274995-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS HEIDELBERG PHARMA RESEARCH GMBH (DE) 2022-09-01 US disclosed
US-11420971-B2 Method for synthesizing amanitins HEIDELBERG PHARMA RESEARCH GMBH (DE) 2022-08-23 US disclosed
US-20210061805-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-03-04 US disclosed
EP-3661938-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS Heidelberg Pharma Research GmbH (DE) 2020-06-10 EP disclosed
CN-110997676-A Novel method for synthesizing amanitin 海德堡医药研究有限责任公司 2020-04-10 CN disclosed
WO-2019030171-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS HEIDELBERG PHARMA GMBH (DE) 2019-02-14 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 (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-11420971-B2 Method for synthesizing amanitins CIAPIN1, AANAT, ANXA5 SCN9A 4812/4885PTPRA 3869/4885CYP2C19 2467/4885
US-20220274995-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS CIAPIN1, ANXA5, ANXA6 SCN9A 4793/4885PTPRA 3955/4885CYP2C19 3435/4885
US-11926631-B2 Method of treating cancer using amanitin derivatives ANXA5, AADAT, ANXA3 SCN9A 4794/4885PTPRA 3565/4885CYP2C19 2350/4885
US-20210061805-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS CIAPIN1, ANXA5, ANXA6 SCN9A 4793/4885PTPRA 3955/4885CYP2C19 3435/4885

“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.