SCHEMBL2409417

SCHEMBL2409417

CC(=O)OCC(O)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 3/20 0.37
CYP3A4 P08684 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 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
SCHEMBL8079639 0.87 TDP1 (0.48) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL14130601 0.87 TDP1 (0.48) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL14508563 0.85 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL13623332 0.83 TDP1 (0.42) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL12019789 0.81 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL9152182 0.80 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL2026947 0.80 TP53 (0.35) ALDH1A1MAPTTSHRMEN1TP53
SCHEMBL28226699 0.80 ALDH1A1 (0.38) ALDH1A1MAPTTSHRTP53
SCHEMBL13622762 0.79 TDP1 (0.48) TDP1ALDH1A1LMNAHSD17B10USP2
SCHEMBL17777233 0.79 TDP1 (0.48) TDP1ALDH1A1LMNAHSD17B10USP2

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
CN-116035205-A Probiotic composition for regulating metabolism and preparation method thereof 广东华南医药技术有限责任公司 2023-05-02 CN claimed
CN-118026842-A Preparation method of chlorogenic acid with content of 50 江西省科学院应用化学研究所 2024-05-14 CN disclosed
CN-116035205-A Probiotic composition for regulating metabolism and preparation method thereof 广东华南医药技术有限责任公司 2023-05-02 CN disclosed
CN-111929388-B Extraction method, detection method and extraction device for flavors and fragrances in food 广州检验检测认证集团有限公司 2021-04-06 CN disclosed
CN-111929388-A Extraction method, detection method and extraction device for flavors and fragrances in food 广州检验检测认证集团有限公司 2020-11-13 CN disclosed
CN-106631709-B Method for extracting and nitrating hydroxytyrosol 中国林业科学研究院林产化学工业研究所 2020-01-10 CN disclosed
WO-2019170204-A1 SYNTHESIS OF PRECURSORS OF 2,5-FURANDICARBOXYLIC ACID Københavns Universitet (DK) 2019-09-12 WO disclosed
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed
US-4053476-A 7-AZA-6-ALKOXY-1-TETRALONES G. D. SEARLE & CO. (US) 1977-10-11 US disclosed
US-4012391-A 11β-Alkyl-2-azaestratrienes and intermediates G. D. SEARLE & CO. (US) 1977-03-15 US disclosed
US-4007194-A Process and intermediates for manufacture of 2-azasterioids G. D. SEARLE & CO. (US) 1977-02-08 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 (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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A TDP1 4743/4885ALDH1A1 1650/4885LMNA 3758/4885

“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.