Sugi Predict

Sugi Predict / Compounds / SCHEMBL222220

SCHEMBL222220

SCHEMBL222220

Nc1sc(N)c(C(=O)O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.44
▸ MAPT P10636 10/20 0.44
▸ HPGD P15428 6/20 0.44
▸ GAA P10253 5/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ FHIT P49789 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALOX15 P16050 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GRM6 O15303 2/20 0.34
▸ CISD2 Q8N5K1 1/20 0.34

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
SCHEMBL11039338 0.84 CISD2 (0.37) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL14699088 0.73 ALDH1A1 (0.64) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL2807538 0.73 CISD2 (0.51) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL28773543 0.71 ALDH1A1 (0.41) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL7058324 0.69 CYP1A2 (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL28397803 0.69 CYP1A2 (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL7266193 0.67 CYP1A2 (0.38) KDM4EKMT2ACYP1A2
Mellitic Acid SCHEMBL23507 0.67 CYP1A2 (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A
Mellitic Acid SCHEMBL22971 0.67 CYP1A2 (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5154417 0.66 ALDH1A1 (0.40) 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 6 patents. 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 disclosed
WO-2013023285-A1 AZOMETHINE COMPOUNDS VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2013-02-21 — — 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-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

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.