Sugi Predict

Sugi Predict / Compounds / SCHEMBL223094

SCHEMBL223094

SCHEMBL223094

CCOC(=O)c1c(N)sc(N)c1C(=O)OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 1.00
▸ MAPT P10636 10/20 1.00
▸ HPGD P15428 9/20 1.00
▸ GAA P10253 8/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ FHIT P49789 1/20 0.81
▸ RAB9A P51151 2/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ HSD17B10 Q99714 3/20 0.66
▸ ALOX15 P16050 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ KDM4E B2RXH2 4/20 0.60
▸ TDP1 Q9NUW8 2/20 0.57
▸ GRM6 O15303 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL27969857 0.92 ALDH1A1 (0.85) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL13343389 0.90 FHIT (1.00) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL10508272 0.88 ALDH1A1 (0.79) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL2742414 0.87 ALDH1A1 (0.76) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL28892316 0.87 MAPT (0.76) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL28267388 0.85 FHIT (0.83) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL1622309 0.84 FHIT (0.77) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL226609 0.83 MAPT (0.75) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL1143421 0.83 MAPT (1.00) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL24811161 0.81 FHIT (0.72) ALDH1A1MAPTHPGDGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947715-B 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2024-01-19 — — CN claimed
CN-115947715-A 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2023-04-11 — — CN claimed
CN-117362293-B Tricyclic pyrazolopyrimidine arylene ester derivative and application thereof 中国科学院新疆理化技术研究所 2025-06-10 — — CN disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 — — CN disclosed
CN-115947715-B 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2024-01-19 — — CN disclosed
CN-115947715-B 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2024-01-19 — — CN disclosed
CN-115947715-B 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2024-01-19 — — CN disclosed
CN-117362293-A Tricyclic pyrazolopyrimidine arylene ester derivative and application thereof 中国科学院新疆理化技术研究所 2024-01-09 — — CN disclosed
CN-115947715-A 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2023-04-11 — — CN disclosed
CN-115947715-A 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2023-04-11 — — CN disclosed
CN-115947715-A 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2023-04-11 — — CN disclosed
WO-2012052188-A1 QUINONE COMPOUNDS FOR USE IN PHOTOVOLTAICS RHODIA OPERATIONS (FR) 2012-04-26 — — WO disclosed
US-20120004386-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2012-01-05 — — US disclosed
US-8034895-B2 Conjugated thiophenes having conducting properties and synthesis of same Université de Montréal (CA) 2011-10-11 — — US disclosed
US-8034895-B2 Conjugated thiophenes having conducting properties and synthesis of same Université de Montréal (CA) 2011-10-11 — — US disclosed
US-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same UNIVERSITE DE MONTREAL (CA) 2007-12-13 — — US disclosed
US-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same UNIVERSITE DE MONTREAL (CA) 2007-12-13 — — US disclosed
US-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same UNIVERSITE DE MONTREAL (CA) 2007-12-13 — — US disclosed
WO-2005073265-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2005-08-11 — — WO disclosed
WO-2004003044-A2 DYNAMERS: POLYMERIC MATERIALS EXHIBITING REVERSIBLE FORMATION AND COMPONENT EXCHANGE LEHN JEAN-MARIE (FR) 2004-01-08 — — 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 (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-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same DDT, DDC, TRPA1 ALDH1A1 91/4885MAPT 233/4885HPGD 2355/4885

“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.