SCHEMBL497984

SCHEMBL497984

COC(=O)c1ccc(-c2ccc(O)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 11/20 0.56
APP P05067 3/20 0.54
ESR1 P03372 6/20 0.53
ESR2 Q92731 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
HPGDS O60760 1/20 0.49

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
SCHEMBL6477476 0.93 KDM4E (0.58) ESRRGKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL12348717 0.86 HSD17B1 (0.56) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL27141132 0.86 RAB9A (0.54) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL27677406 0.85 IKBKB (0.63) ESRRGESR1KDM4ESMN1; SMN2NPC1
SCHEMBL7259715 0.85 APP (0.53) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL6805238 0.85 KDM4E (0.67) ESRRGESR1ESR2KDM4ESMN1; SMN2
SCHEMBL2491378 0.85 RAB9A (0.72) ESRRGKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL2550687 0.85 KDM4E (0.72) APPKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL71536 0.84 RAB9A (0.66) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL29906340 0.83 RAB9A (0.51) APPKDM4ESMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
CN-101389352-B Agent for treating or preventing digestive ulcer ASTELLAS PHARMA INC 2012-09-19 CN disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
CN-101374834-B Compounds and methods for modulating FXR ELI LILLY AND CO. (US) 2011-12-14 CN disclosed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
CN-101448791-B Fxr agonists LILLY CO ELI 2011-11-16 CN disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
CN-101374834-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-02-25 CN disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
US-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2008-01-31 US disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
EP-1783124-A1 2-PHENYLTHIOPHENE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 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 (3 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-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN ESRRG 4350/4885APP 2297/4885ESR1 4206/4885
US-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy XDH, UACA, NUDT1 ESRRG 4247/4885APP 3174/4885ESR1 4120/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN ESRRG 4350/4885APP 2297/4885ESR1 4206/4885

“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.