SCHEMBL17859552

SCHEMBL17859552

O=C(O)c1ncoc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ASPH Q12797 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
GSK3B P49841 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
KDM8 Q8N371 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
AGER Q15109 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOTUM Q6P988 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL17859550 0.82 GSK3B (0.33) ADORA2AGSK3BKDM4E
SCHEMBL26121047 0.80 ADORA2A (0.36) ADORA2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL19309585 0.78 GSK3B (0.31) GSK3B
SCHEMBL17859551 0.74 HDAC4 (0.44) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL27961475 0.73 ADORA2A (0.32) ADORA2AALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL23723955 0.72 AGBL2 (0.45) ALDH1A1MAPTSMN1; SMN2KDM4ENOTUM
SCHEMBL1167311 0.71 GSK3B (0.60) ADORA2AASPHGSK3BKDM4EKDM8
SCHEMBL11329945 0.70 ADORA2A (0.40) ADORA2AASPHALDH1A1MAPTSMN1; SMN2
SCHEMBL439721 0.68
SCHEMBL20928815 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
CN-108064223-A FXR (NR1H4) modulating compound of hydroxyl 吉利德科学公司 2018-05-22 CN disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO disclosed
CN-102245024-A Inhibitors of diacylglycerol aclytransferase VIA PHARMACEUTICALS INC 2011-11-16 CN disclosed
CN-101835757-A Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN 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-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 ADORA2A 830/4885ASPH 735/4885ALDH1A1 2674/4885

“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.