SCHEMBL4366529

SCHEMBL4366529

O=C(O)c1ccc(OCC(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.54
NR4A2 P43354 3/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
PLA2G4B P0C869 3/20 0.53
NR1H4 Q96RI1 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
ALDH1A1 P00352 2/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL12392246 0.83 MAPT (0.71) ALDH1A1POLBRAB9AL3MBTL1
SCHEMBL7768531 0.82 PKM (0.58) PKMMAPK1NR4A2NR4A1NR4A3
SCHEMBL9741323 0.82 PLA2G4B (0.71) PKMMAPK1NR4A2NR4A1NR4A3
SCHEMBL834902 0.81 NR1H4 (0.70) PKMMAPK1NR4A2NR4A1NR4A3
SCHEMBL25334000 0.80 MAPT (0.66) TSHRALDH1A1NPC1POLBRAB9A
SCHEMBL22495450 0.80 PLA2G4B (0.60) PKMMAPK1NR4A2NR4A1NR4A3
SCHEMBL8414525 0.80 PLA2G4B (0.68) PKMMAPK1PLA2G4BNR1H4TSHR
SCHEMBL7768982 0.79 PLA2G4B (0.55) PKMMAPK1NR4A2NR4A1NR4A3
SCHEMBL8480906 0.79 PLA2G4B (0.55) PKMMAPK1NR4A2NR4A1NR4A3
SCHEMBL9741504 0.79 PLA2G4B (0.55) PKMMAPK1NR4A2NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
WO-2022015977-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO disclosed
WO-2022015977-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO disclosed
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP disclosed
US-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 PKM 643/4885MAPK1 1741/4885NR4A2 3812/4885
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PKM 3505/4885MAPK1 1593/4885NR4A2 2070/4885

“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.