SCHEMBL2931922

SCHEMBL2931922

O=Cc1ccc(OCc2ccc(C(F)(F)F)cc2)c(C(=O)OCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.45
MMP12 P39900 2/20 0.44
MMP1 P03956 1/20 0.44
PTPN1 P18031 4/20 0.44
LRRK2 Q5S007 2/20 0.44
TACR2 P21452 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
MAOB P27338 3/20 0.42
ALOX5 P09917 1/20 0.42
PSEN1 P49768 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL2930191 0.89 RXRA (0.54) RXRARXRBRXRGMRGPRX4PTPN1
SCHEMBL1647807 0.86 MAOA (0.52) LRRK2TACR2MAOBKDM4EALDH1A1
SCHEMBL1315281 0.83 ALDH1A1 (0.59) MAOBKDM4EALDH1A1POLBL3MBTL1
SCHEMBL1647426 0.82 LRRK2 (0.62) RXRARXRBRXRGMRGPRX4PTPN1
SCHEMBL5788379 0.81 NPC1 (0.55) MMP1TACR2ALDH1A1POLBPPARD
SCHEMBL1648089 0.81 LMNA (0.46) RXRARXRBRXRGMRGPRX4LRRK2
SCHEMBL7187849 0.81 MRGPRX4 (0.50) MRGPRX4LRRK2ALOX5PSEN1ALDH1A1
SCHEMBL856364 0.81 RXRA (0.59) RXRARXRBRXRGPTPN1TACR2
SCHEMBL23496317 0.80 PTPN1 (0.64) RXRARXRBRXRGPTPN1TACR2
SCHEMBL30002082 0.80 PTPN1 (0.64) RXRARXRBRXRGPTPN1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313731-B1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT UCB SA (BE) 2010-09-29 EP disclosed
EP-1313731-B1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT UCB SA (BE) 2010-09-29 EP disclosed
US-6740670-B2 SUCH AS 5-(((3-(N-METHYL-N-PHENYLAMINO)CARBONYL-4-(PHENYL-METHOXY)) -PHENYL)METHYLENE)-4-OXO-2-THIOXO-3-THIAZOLIDINE-ACETIC ACID OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2004-05-25 US disclosed
US-20030216453-A1 Thiazolidine derivatives and its use as antifungal agent OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-11-20 US disclosed
EP-1313731-A1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT Oxford GlycoSciences (UK) Limited (GB) 2003-05-28 EP disclosed
WO-2002022612-A1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-21 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 (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-20030216453-A1 Thiazolidine derivatives and its use as antifungal agent CYP3A7, TAS2R7, OXSR1 RXRA 1171/4885RXRB 1398/4885RXRG 1236/4885

“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.