Sugi Predict

Sugi Predict / Compounds / SCHEMBL82994

SCHEMBL82994

SCHEMBL82994

O=[C]OCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.44
▸ CA2 P00918 9/20 0.44
▸ CA9 Q16790 7/20 0.44
▸ CA12 O43570 6/20 0.44
▸ CA14 Q9ULX7 5/20 0.44
▸ CA7 P43166 4/20 0.44
▸ CA3 P07451 3/20 0.44
▸ CA4 P22748 3/20 0.44
▸ CA6 P23280 3/20 0.44
▸ CA5A P35218 3/20 0.44
▸ CA13 Q8N1Q1 3/20 0.44
▸ CA5B Q9Y2D0 3/20 0.44
▸ HSD11B1 P28845 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ F2 P00734 2/20 0.40

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
SCHEMBL18342911 0.83 F2 (0.49) CA1CA2CA9CA12CA14
SCHEMBL9420457 0.81 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL19126866 0.80 CA2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL82995 0.79 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL26640657 0.78 F2 (0.44) CA1CA2CA9CA12CA14
SCHEMBL2587720 0.78 ALDH1A1 (0.44) CA2MMP1MMP2MMP9MMP8
SCHEMBL619004 0.78 LMNA (0.41) CA2MMP8MMP13ALDH1A1LMNA
SCHEMBL64436 0.78 ALDH1A1 (0.63) ALDH1A1LMNACYP3A4MAPTCYP2C9
SCHEMBL28051 0.78 PSIP1 (0.47) HSD11B1MMP1MMP8MMP13ALDH1A1
SCHEMBL28638777 0.77 MAPT (0.54) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209009-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME TARSIER PHARMA LTD. (IL) 2024-06-27 — — US claimed
US-20240199681-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS EVONETIX LTD (GB) 2024-06-20 — — US claimed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 — — WO claimed
EP-4326738-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME Tarsier Pharma Ltd. (IL) 2024-02-28 — — EP claimed
US-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS SIGILON THERAPEUTICS, INC. 2023-09-28 — — US claimed
EP-4192468-A2 HETEROARYL AND HETEROCYCLYL COMPOUNDS Sigilon Therapeutics, Inc. (US) 2023-06-14 — — EP claimed
EP-3720854-B1 SOLID PHASE SYNTHESIS OF NIR FLUORESCENT PROBE BRACCO IMAGING SPA (IT) 2021-04-21 — — EP claimed
US-10954267-B2 Dipeptide comprising a non-proteogenic amino acid NOVO NORDISK A/S (DK) 2021-03-23 — — US claimed
US-20210047361-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS SILICON VALLEY BANK 2021-02-18 — — US claimed
EP-3743433-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS Evonetix Ltd (GB) 2020-12-02 — — EP claimed
US-6949639-B1 Oligonucleotide labeling reactants and their use WALLAC OY (FI) 2005-09-27 — — US claimed
US-20040260080-A1 Oligonucleotide labeling reactants and their use HOVINEN JARI (FI) 2004-12-23 — — US claimed
EP-0967205-B1 Labeling reactants and their use WALLAC OY (FI) 2003-09-17 — — EP claimed
US-20030118999-A1 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2003-06-26 — — US claimed
EP-1308452-A2 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2003-05-07 — — EP claimed
EP-1152010-A2 Oligonucleotide labeling reactants and their use WALLAC OY (FI) 2001-11-07 — — EP claimed
EP-0967205-A1 Labeling reactants and their use WALLAC OY (FI) 1999-12-29 — — EP claimed
EP-0765307-B1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM IND CO LTD (KR) 1999-10-20 — — EP claimed
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 — — EP claimed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 — — WO 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 (7 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-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS CYP3A43, CYP2C9, CYP2C19 CA1 3554/4885CA2 3073/4885CA9 1600/4885
US-20240199681-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS POLN, POLI, ADAR CA1 2928/4885CA2 2353/4885CA9 2993/4885
US-10954267-B2 Dipeptide comprising a non-proteogenic amino acid DNPEP, ANPEP, NPEPPS CA1 1170/4885CA2 3238/4885CA9 3203/4885
US-20240209009-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME PTMS, SRMS, SGMS1 CA1 976/4885CA2 2580/4885CA9 2413/4885
US-20040260080-A1 Oligonucleotide labeling reactants and their use SSU72, LIG4, NSUN2 CA1 1974/4885CA2 2093/4885CA9 1706/4885
US-20030118999-A1 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof PCNA, DUT, POLL CA1 1496/4885CA2 1502/4885CA9 1890/4885
US-20210047361-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS POLN, POLI, ADAR CA1 2928/4885CA2 2353/4885CA9 2993/4885

“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.