Sugi Predict

Sugi Predict / Compounds / SCHEMBL4159419

SCHEMBL4159419

SCHEMBL4159419

CCOC(=O)c1c(C)ccc[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GLA P06280 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ GAA P10253 4/20 0.39

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
SCHEMBL31409354 1.00 TSHR (0.47) TSHRCA12CA1CA2CA7
SCHEMBL18043888 0.86 BRD4 (0.49) TSHRCYP1A2RAB9ACYP2C19HSD17B10
SCHEMBL6306400 0.85 TSHR (0.59) TSHRCA12CA1CA2CA7
SCHEMBL27951480 0.84 ERCC5 (0.33) TSHRCYP1A2RAB9ACYP2C19L3MBTL1
SCHEMBL18043962 0.83 TARBP2 (0.39) CYP1A2L3MBTL1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL30291201 0.82 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL16333645 0.82 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL16855171 0.81 TSHR (0.48) TSHRCA12CA1CA2CA7
SCHEMBL19951153 0.80 KDM4E (0.44) TSHRCA12CA1CA2CA7
SCHEMBL12458001 0.78 TSHR (0.59) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181062-A Preparation method of 6-chloro-3-methyl-2-pyridinecarboxylic acid methyl ester 八叶草健康产业研究院(厦门)有限公司 2022-10-14 — — CN claimed
CN-115181062-B Preparation method of 6-chloro-3-methyl-2-pyridine carboxylic acid methyl ester 八叶草健康产业研究院(厦门)有限公司 2025-02-07 — — CN disclosed
CN-115181062-B Preparation method of 6-chloro-3-methyl-2-pyridine carboxylic acid methyl ester 八叶草健康产业研究院(厦门)有限公司 2025-02-07 — — CN disclosed
CN-115181062-A Preparation method of 6-chloro-3-methyl-2-pyridinecarboxylic acid methyl ester 八叶草健康产业研究院(厦门)有限公司 2022-10-14 — — CN disclosed
CN-115181062-A Preparation method of 6-chloro-3-methyl-2-pyridinecarboxylic acid methyl ester 八叶草健康产业研究院(厦门)有限公司 2022-10-14 — — CN disclosed
EP-3083554-B1 DIMETHYLBENZOIC ACID COMPOUNDS LILLY CO ELI (US) 2019-03-13 — — EP disclosed
US-10005721-B2 Dimethylbenzoic acid compounds ELI LILLY AND COMPANY (US) 2018-06-26 — — US disclosed
US-9695170-B2 Naphthyridine derivatives as inhibitors of Hypoxia inducible factor (HIF) hydroxylase FIBROGEN, INC. (US) 2017-07-04 — — US disclosed
EP-3083554-A1 DIMETHYLBENZOIC ACID COMPOUNDS Eli Lilly & Company (US) 2016-10-26 — — EP disclosed
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY 2016-09-01 — — US disclosed
US-9271970-B2 Naphthyridine derivatives as inhibitors of hypoxia inducible factor (HIF) hydroxylase FIBROGEN, INC. (US) 2016-03-01 — — US disclosed
US-20150174110-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE FIBROGEN, INC. 2015-06-25 — — US disclosed
WO-2015094912-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 — — WO disclosed
US-8921389-B2 Naphthyridine derivatives as inhibitors of hypoxia inducible factor (HIF) hydroxylase FIBROGEN, INC. (US) 2014-12-30 — — US disclosed
US-20140088101-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE FIBROGEN, INC. (US) 2014-03-27 — — US disclosed
EP-2670750-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE Fibrogen, Inc. (US) 2013-12-11 — — EP disclosed
WO-2012106472-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE FIBROGEN, INC. (US) 2012-08-09 — — WO disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 — — US disclosed
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 — — EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 — — 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 (5 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B TSHR 479/4885CA12 1895/4885CA1 2841/4885
US-20150174110-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE HIF1AN, HIF1A, EGLN2 TSHR 3778/4885CA12 2378/4885CA1 1612/4885
US-20140088101-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE HIF1AN, HIF1A, EGLN2 TSHR 3778/4885CA12 2378/4885CA1 1612/4885
US-10005721-B2 Dimethylbenzoic acid compounds PTGER4, EDNRB, EPB41 TSHR 524/4885CA12 2690/4885CA1 2400/4885
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS PTGER4, EDNRB, EPB41 TSHR 524/4885CA12 2690/4885CA1 2400/4885

“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.