Sugi Predict

Sugi Predict / Compounds / SCHEMBL2597758

SCHEMBL2597758

SCHEMBL2597758

Cc1cc(C(C(=O)O)C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.58
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42

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
SCHEMBL2597759 1.00 TSHR (0.58) TSHRMAPTMEN1KMT2AGAA
SCHEMBL2597745 0.85 AKR1C3 (0.58) TSHRMAPTMEN1KMT2AGAA
SCHEMBL2597746 0.85 AKR1C3 (0.58) TSHRMAPTMEN1KMT2AGAA
SCHEMBL2597743 0.83 ALDH1A1 (0.54) TSHRMAPTMEN1KMT2AGAA
SCHEMBL3726025 0.82 TSHR (0.44) TSHRMAPTMEN1KMT2AGAA
SCHEMBL3726022 0.81 TSHR (0.49) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL2937777 0.80 ATM (0.53) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL2937770 0.80 ATM (0.53) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL2729877 0.80 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2729882 0.80 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1L3MBTL1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 — — EP disclosed
US-10544113-B2 Thiazolidinone compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2020-01-28 — — US disclosed
EP-3426246-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF National Health Research Institutes (TW) 2019-01-16 — — EP disclosed
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 — — WO disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 — — US disclosed
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 — — US disclosed
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 — — EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 — — US disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 — — US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 — — WO disclosed
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-01-28 — — US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 — — US disclosed
WO-2009150119-A1 NOVEL POLYMORPHIC FORMS OF (4-{[(5-{[(3-CHLOROPHENYL)METHYL]OXY}-2-METHYLPHENYL)CARBONYL]AMINO}-3-METHYLPHENYL)ACETIC ACID GLAXO GROUP LIMITED (GB) 2009-12-17 — — WO disclosed
WO-2009150118-A2 NOVEL SALTS OF (4-{[(5-{[(3-CHLOROPHENYL)METHYL]OXY}-2-METHYLPHENYL)CARBONYL]AMINO}-3-METHYLPHENYL)ACETIC ACID GLAXO GROUP LIMITED (GB) 2009-12-17 — — WO disclosed
EP-2101751-A1 BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-09-23 — — EP disclosed
US-20080167377-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2008-07-10 — — US disclosed
WO-2008071736-A1 BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-19 — — 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 (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-20080167377-A1 Novel compounds F12, C1R, MRGPRX1 TSHR 801/4885MAPT 2961/4885MEN1 21/4885
US-10544113-B2 Thiazolidinone compounds and use thereof OPRL1, OPRD1, OPRK1 TSHR 131/4885MAPT 1648/4885MEN1 4566/4885
US-20100022650-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 TSHR 222/4885MAPT 4671/4885MEN1 1565/4885
US-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB TSHR 3186/4885MAPT 1599/4885MEN1 4527/4885
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 TSHR 222/4885MAPT 4671/4885MEN1 1565/4885
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 TSHR 131/4885MAPT 1648/4885MEN1 4566/4885
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 TSHR 435/4885MAPT 2589/4885MEN1 2542/4885

“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.