SCHEMBL504299

SCHEMBL504299

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2n1-c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.46
PPARA Q07869 2/20 0.41
PPARG P37231 2/20 0.41
FFAR4 Q5NUL3 2/20 0.40
GNA15 P30679 1/20 0.40
PTGER3 P43115 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLA2G4A P47712 1/20 0.39
MAPK14 Q16539 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL504096 0.91 CYP2C19 (0.45) FFAR1RAB9A
SCHEMBL10076916 0.89 PPARG (0.47) PPARAPPARGPLA2G4AMAPK14MAPT
SCHEMBL503870 0.88 MRGPRX4 (0.47) FFAR1PPARAPPARGFFAR4PLA2G4A
SCHEMBL333656 0.85 PPARG (0.43) PPARAPPARGPLA2G4AMAPK14MAPT
SCHEMBL333611 0.84 PPARG (0.47) PPARAPPARGMAPTMEN1RAB9A
SCHEMBL333774 0.84 PPARG (0.46) PPARAPPARGPLA2G4AMEN1KMT2A
SCHEMBL503816 0.84 KDM4E (0.44) PPARAPPARGLTA4HEPHX2
SCHEMBL361319 0.83 PPARG (0.42) PPARAPPARGFFAR4PLA2G4AMAPT
SCHEMBL504356 0.83 PPARG (0.42) PPARAPPARGFFAR4PLA2G4AMAPT
SCHEMBL504228 0.82 EPHX2 (0.39) PPARAPPARGLTA4HEPHX2

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 1 patent. 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

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 FFAR1 1011/4885PPARA 1860/4885PPARG 3260/4885

“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.