Sugi Predict

Sugi Predict / Compounds / SCHEMBL331601

SCHEMBL331601

SCHEMBL331601

O=[N+]([O-])c1ccccc1-c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ EIF4E P06730 1/20 0.48
▸ ERN1 O75460 1/20 0.46
▸ GAA P10253 3/20 0.45
▸ MGAM O43451 2/20 0.45
▸ SI P14410 2/20 0.45
▸ MGAM2 Q2M2H8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ S100A4 P26447 2/20 0.43
▸ PTPRC P08575 1/20 0.43

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
SCHEMBL11667719 0.84 S100A4 (0.51) ALDH1A1TDP1EIF4EERN1GAA
SCHEMBL28397795 0.84 GPR35 (0.47) ALDH1A1TDP1EIF4EERN1GAA
SCHEMBL5838874 0.83 TDP1 (0.56) ALDH1A1TDP1EIF4EERN1GAA
SCHEMBL11661845 0.80 ERN1 (0.51) ALDH1A1TDP1EIF4EERN1L3MBTL1
SCHEMBL11660607 0.80 ERN1 (0.55) TDP1EIF4EERN1L3MBTL1MEN1
SCHEMBL8692154 0.80 TDP1 (0.47) ALDH1A1TDP1ERN1GAAL3MBTL1
SCHEMBL5839785 0.79 ERN1 (0.42) ALDH1A1TDP1EIF4EERN1GAA
SCHEMBL12288740 0.79 ALDH1A1 (0.59) ALDH1A1TDP1GAAMGAMSI
SCHEMBL15741184 0.78 ERN1 (0.44) ALDH1A1TDP1EIF4EERN1GAA
SCHEMBL15741251 0.78 S100A4 (0.47) ALDH1A1TDP1EIF4EERN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127642-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-24 — — WO claimed
CN-111695658-B Anti-counterfeiting method based on PUF, PUF anti-counterfeiting label and preparation method thereof 上海交通大学 2024-03-29 — — CN disclosed
CN-115996638-A Substituted N-phenyluracils and salts thereof and their use as herbicidal agents 拜耳股份有限公司 2023-04-21 — — CN disclosed
US-11618763-B2 Selective valorization of biomass sugars MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-04-04 — — US disclosed
WO-2021127642-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-24 — — WO disclosed
US-20210188890-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-06-24 — — US disclosed
CN-107849012-B Kinase inhibitor 重庆复创医药研究有限公司 2021-05-25 — — CN disclosed
CN-112771025-A Deuterated compounds as ROCK inhibitors 重庆复创医药研究有限公司 2021-05-07 — — CN disclosed
CN-111971287-A Macrocyclic compounds as TRK kinase inhibitors 重庆复创医药研究有限公司 2020-11-20 — — CN disclosed
CN-111936500-A Substituted (2-azabicyclo [3.1.0] hex-2-yl) pyrazolo [1,5-a ] pyrimidine and imidazo [1,2-b ] pyridazine compounds as TRK kinase inhibitors 重庆复创医药研究有限公司 2020-11-13 — — CN disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 — — WO disclosed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 — — US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 — — US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 — — US disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 — — EP disclosed
EP-0525885-A1 New sulphur containing nonsteroidal drugs as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 — — EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 — — WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 — — WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 — — WO disclosed
US-4119629-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, WEIGHT CONTROL AGENTS MILLER RICHARD FOSTER 1978-10-10 — — 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 (2 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-11618763-B2 Selective valorization of biomass sugars GALE, FBP1, GNE ALDH1A1 1805/4885TDP1 4158/4885EIF4E 720/4885
US-20210188890-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS GALE, FBP1, GNE ALDH1A1 1805/4885TDP1 4158/4885EIF4E 720/4885

“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.