SCHEMBL4860438

SCHEMBL4860438

COCOc1cnccc1C(O)c1ccc(CCOC(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
ROCK2 O75116 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
Hydrochloric Acid SCHEMBL5385904 0.82 ESR1 (0.47) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL4859983 0.81 EGFR (0.41) MAPTL3MBTL1KDM4ECCNCCDK8
SCHEMBL27597150 0.71 ESR1 (0.64) ESR1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL4000423 0.70 DRD2 (0.41) MAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL19439130 0.68 ESR1 (0.69) ESR1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL4859922 0.68 IDO1 (0.33) NPC1RAB9AL3MBTL1LMNATDP1
SCHEMBL4004190 0.68 ESR1 (0.43) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL14219781 0.68 LMNA (0.73) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL8697576 0.68 ESR1 (0.52) ESR1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL1798492 0.67 CA12 (0.33) MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439232-B2 Heteroaryl 5-thio-β-D-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
CN-1761676-A Heteroaryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same TAISHO PHARMACEUTICAL CO LTD (JP) 2006-04-19 CN disclosed
EP-1609799-A1 HETEROARYL 5-THIO-BETA-D-GLUCOPYRANOSIDE DERIVATIVES AND REMEDIES FOR DIABETES CONTAINING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-12-28 EP disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 EP 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-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 ESR1 2658/4885ESR2 2190/4885NPC1 259/4885
US-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same SLC5A2, SLC5A1, UGGT1 ESR1 4508/4885ESR2 2369/4885NPC1 450/4885

“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.