Sugi Predict

Sugi Predict / Compounds / SCHEMBL3225523

SCHEMBL3225523

SCHEMBL3225523

CCOc1cc(CC(=O)O)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ RXRA P19793 1/20 0.50
▸ RXRB P28702 1/20 0.50
▸ RXRG P48443 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ PTPN11 Q06124 3/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ SLC22A1 O15245 1/20 0.47

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
SCHEMBL10013500 0.89 TSHR (0.56) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL7791924 0.87 TSHR (0.51) TSHRALDH1A1TDP1RXRARXRB
SCHEMBL6909316 0.86 TDP1 (0.58) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL391346 0.86 TDP1 (0.48) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL1883666 0.85 ALDH1A1 (0.58) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL7605944 0.84 TSHR (0.53) TSHRALDH1A1TDP1HSD17B10PPARG
SCHEMBL4005109 0.84 FOLH1 (0.52) TSHRHSD17B10PPARGPPARACYP3A4
Hydrochloric Acid SCHEMBL2525777 0.83 ALDH1A1 (0.57) TSHRGAAALDH1A1NFKB1TDP1
Bromide SCHEMBL10998875 0.83 ALDH1A1 (0.57) TSHRGAAALDH1A1NFKB1TDP1
SCHEMBL2772851 0.83 GAA (0.68) TSHRGAAALDH1A1NFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108715576-B Preparation method of 3-ethoxy-4-carboxyl phenylacetic acid 江苏理工学院 2021-08-24 — — CN claimed
CN-106397788-B cobalt coordination polymer of dicarboxylic acid ligand and preparation method thereof 齐鲁工业大学 2020-01-31 — — CN claimed
CN-106397787-B three-dimensional manganese coordination polymer structure containing dicarboxylic acid ligand and preparation method thereof 齐鲁工业大学 2020-01-31 — — CN claimed
CN-107868004-A The crystal structure and thermostabilization and fluorescence property of a kind of double carboxylic acid compounds 齐鲁工业大学 2018-04-03 — — CN claimed
CN-106432749-A Two-dimensional metal nickel coordination polymer with mixed ligands and preparation method of two-dimensional metal nickel coordination polymer 齐鲁工业大学 2017-02-22 — — CN claimed
CN-106432292-A Three-dimensional zinc coordination polymer containing mixed ligand as well as preparation method and application thereof 齐鲁工业大学 2017-02-22 — — CN claimed
CN-106432296-A Dicarboxylate ligand-containing three-dimensional cadmium coordination polymer and preparation method and application thereof 齐鲁工业大学 2017-02-22 — — CN claimed
CN-106397788-A Cobalt coordination polymer of double carboxylate ligand, and preparation method thereof 齐鲁工业大学 2017-02-15 — — CN claimed
CN-106397787-A Three-dimensional manganese coordination polymer structure containing double-carboxylate ligand and preparation method of three-dimensional manganese coordination polymer structure 齐鲁工业大学 2017-02-15 — — CN claimed
CN-108715576-B Preparation method of 3-ethoxy-4-carboxyl phenylacetic acid 江苏理工学院 2021-08-24 — — CN disclosed
CN-106397787-B three-dimensional manganese coordination polymer structure containing dicarboxylic acid ligand and preparation method thereof 齐鲁工业大学 2020-01-31 — — CN disclosed
CN-106397788-B cobalt coordination polymer of dicarboxylic acid ligand and preparation method thereof 齐鲁工业大学 2020-01-31 — — CN disclosed
CN-107868004-A The crystal structure and thermostabilization and fluorescence property of a kind of double carboxylic acid compounds 齐鲁工业大学 2018-04-03 — — CN disclosed
CN-103181923-B Pharmaceutical preparation comprising Repaglinide and preparation method thereof 北京韩美药品有限公司 2017-10-27 — — CN disclosed
US-20090209587-A1 REPAGLINIDE FORMULATIONS DR. REDDY'S LABORATORIES LIMITED (IN) 2009-08-20 — — US disclosed
US-20090209587-A1 REPAGLINIDE FORMULATIONS DR. REDDY'S LABORATORIES LIMITED (IN) 2009-08-20 — — US disclosed
US-20090209587-A1 REPAGLINIDE FORMULATIONS DR. REDDY'S LABORATORIES LIMITED (IN) 2009-08-20 — — US disclosed
CN-101220007-A Method for producing repaglinide ZHEJIANG NEXCHEM PHARMACEUTICA (CN) 2008-07-16 — — CN disclosed
CN-101220007-A Method for producing repaglinide ZHEJIANG NEXCHEM PHARMACEUTICA (CN) 2008-07-16 — — CN disclosed
US-20040249188-A1 Process for the preparation of 3-ethoxy-4-(alkoxy carbonyl)-phenyl acetic acid. (an intermediate of repaglinide) DR. REDDY'S LABORATORIES LIMITED 2004-12-09 — — 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-20090209587-A1 REPAGLINIDE FORMULATIONS GCG, GCGR, GLP1R TSHR 2894/4885GAA 150/4885ALDH1A1 1808/4885
US-20040249188-A1 Process for the preparation of 3-ethoxy-4-(alkoxy carbonyl)-phenyl acetic acid. (an intermediate of repaglinide) ALDH1A1, ADRM1, ALDH7A1 TSHR 3788/4885GAA 93/4885ALDH1A1 1/4885

“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.