SCHEMBL503626

SCHEMBL503626

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 5/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 4/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 2/20 0.38
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL503637 0.84 MAPT (0.48) L3MBTL1MAPTHTTMAPK1PKM
SCHEMBL503665 0.80 MRGPRX4 (0.48) MAPTHTTMAPK1PKMHPGD
SCHEMBL503613 0.76 MAPT (0.48) MAPTHTTMAPK1PKMHPGD
SCHEMBL333849 0.76 ALOX5 (0.46) MAPTSMN1; SMN2PPARGPPARAALOX5
SCHEMBL10076916 0.76 PPARG (0.47) MAPTHTTSMN1; SMN2KDM4EPPARG
SCHEMBL333846 0.75 ALOX5 (0.45) MAPTMAPK1HPGDSMN1; SMN2TSHR
SCHEMBL334099 0.75 ALOX5 (0.45) MAPTSMN1; SMN2PPARGALOX5MEN1
SCHEMBL333935 0.75 ALOX5 (0.52) MAPTHSD17B10SMN1; SMN2ALOX5MEN1
SCHEMBL333868 0.74 USP14 (0.47) MAPTMAPK1SMN1; SMN2TSHRKDM4E
SCHEMBL333611 0.74 PPARG (0.47) MAPTMAPK1PKMTSHRKDM4E

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 L3MBTL1 1636/4885MAPT 3986/4885HTT 3222/4885

“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.