SCHEMBL317990

SCHEMBL317990

CC(=O)OC(C)(C)C(=O)Br

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL359138 0.77 GAA (0.52) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL28161161 0.74 GAA (0.44) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL4464867 0.74 GAA (0.44) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL18253 0.72 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL5201001 0.72 GAA (0.42) GAAALDH1A1TSHR
Hydrochloric Acid SCHEMBL338771 0.72 GAA (0.42) GAAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL2717509 0.72 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL6315329 0.72 GAA (0.42) GAAALDH1A1TSHR
Bromide SCHEMBL9125384 0.72 GAA (0.42) GAAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL6312350 0.72 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431481-A Cordycepin derivative and preparation method and application thereof 燕山大学 2025-02-14 CN claimed
CN-119431466-A Environment-friendly synthesis method of cordycepin by taking inosine as raw material 深圳市倍昂生物科技有限公司 2025-02-14 CN claimed
CN-104961787-B Synthetic method of cordycepin 深圳松乐生物科技有限公司 2020-06-26 CN claimed
CN-110963915-A Preparation process of 2-acetoxy isobutyryl bromide 上海星酶生物科技有限公司 2020-04-07 CN claimed
US-7148322-B2 Process for the preparation of echinocandin derivatives NOVEXEL (FR) 2006-12-12 US claimed
US-6927291-B2 Method for the synthesis of 2′,3′-dideoxy-2′,3′-didehydronucleosides PHARMASSET, LTD. (US) 2005-08-09 US claimed
EP-1363927-A2 METHOD FOR THE SYNTHESIS OF 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES Pharmasset Limited (US) 2003-11-26 EP claimed
US-20020198224-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides GILEAD PHARMASSET LLC 2002-12-26 US claimed
WO-2002070533-A2 METHOD FOR THE SYNTHESIS OF 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES PHARMASSET LTD. (BB) 2002-09-12 WO claimed
EP-0640091-A4 SYNTHESIS OF NUCLEOTIDE MONOMERS. RIBOZYME PHARM INC (US) 1995-07-26 EP claimed
EP-0640091-A1 SYNTHESIS OF NUCLEOTIDE MONOMERS RIBOZYME PHARMACEUTICALS, INC. (US) 1995-03-01 EP claimed
WO-1993023413-A1 SYNTHESIS OF NUCLEOTIDE MONOMERS RIBOZYME PHARMACEUTICALS, INC. (US) 1993-11-25 WO claimed
US-5200514-A SYNTHESIS OF 2'-DEOXYPYRIMIDINE NUCLEOSIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-04-06 US claimed
WO-1993006119-A1 DEOXYNUCLEOSIDE DERIVATIVES THE INSTITUTE OF CANCER RESEARCH (GB) 1993-04-01 WO claimed
EP-0513067-A1 A PRATICAL SYNTHESIS OF 2'-DEOXYNUCLEOSIDES AND 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-11-19 EP claimed
WO-1991010670-A1 A PRATICAL SYNTHESIS OF 2'-DEOXYNUCLEOSIDES AND 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1991-07-25 WO claimed
EP-0341704-A2 Process for the preparation of 2',3'-dideoxycytidines F. HOFFMANN-LA ROCHE AG (CH) 1989-11-15 EP claimed
JP-2256648-A None JP disclosed
EP-0252683-A2 Process and reagents for DNA sequence analysis E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-13 EP disclosed
EP-0251786-A2 Alkynylamino-nucleotides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-07 EP 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 (1 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-20020198224-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides DUT, DUS2, DERA GAA 627/4885ALDH1A1 853/4885TSHR 3167/4885

“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.