SCHEMBL503870

SCHEMBL503870

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.47
PPARG P37231 3/20 0.43
PPARA Q07869 1/20 0.43
PLA2G4A P47712 1/20 0.41
AGTR1 P30556 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 3/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP1 P03956 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL10076916 0.93 PPARG (0.47) PPARGPPARAPLA2G4AAGTR1MEN1
SCHEMBL503665 0.92 MRGPRX4 (0.48) MRGPRX4PPARGPPARAPLA2G4AMEN1
SCHEMBL504299 0.88 FFAR1 (0.46) PPARGPPARAPLA2G4AMEN1KMT2A
SCHEMBL333656 0.88 PPARG (0.43) PPARGPPARAPLA2G4AMEN1KMT2A
SCHEMBL333774 0.87 PPARG (0.46) PPARGPPARAPLA2G4AMEN1KMT2A
SCHEMBL333611 0.87 PPARG (0.47) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL503499 0.85 MDM2 (0.45) PPARAPLA2G4AAGTR1MEN1KMT2A
SCHEMBL333665 0.84 MEN1 (0.44) PPARGPPARAPLA2G4AMEN1KMT2A
SCHEMBL333845 0.84 PPARG (0.42) PPARGPPARAFFAR1KDM4E
SCHEMBL504356 0.84 PPARG (0.42) PPARGPPARAPLA2G4AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 US disclosed
WO-2010076566-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R MRGPRX4 179/4885PPARG 3260/4885PPARA 1860/4885

“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.