SCHEMBL503637

SCHEMBL503637

COC(=O)c1c(CC(=O)O)n(-c2ccc(O)cc2)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HTT P42858 3/20 0.48
HPGD P15428 3/20 0.48
PKM P14618 3/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX5 P09917 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL503665 0.90 MRGPRX4 (0.48) MAPTHTTHPGDPKMMAPK1
SCHEMBL10076916 0.84 PPARG (0.47) MAPTHTTSMN1; SMN2KDM4ENPSR1
SCHEMBL503626 0.84 L3MBTL1 (0.45) MAPTHTTHPGDPKMMAPK1
SCHEMBL333611 0.83 PPARG (0.47) MAPTPKMMAPK1TSHRKDM4E
SCHEMBL333774 0.83 PPARG (0.46) KMT2AMEN1PPARGPPARAAKR1C3
SCHEMBL333868 0.83 USP14 (0.47) MAPTMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL504356 0.82 PPARG (0.42) MAPTSMN1; SMN2KDM4EGAAKMT2A
SCHEMBL361319 0.82 PPARG (0.42) MAPTSMN1; SMN2KDM4EGAAKMT2A
SCHEMBL333665 0.82 MEN1 (0.44) MAPTMAPK1TSHRKDM4EALOX5
SCHEMBL333656 0.82 PPARG (0.43) MAPTKDM4EKMT2AMEN1PPARG

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 MAPT 3986/4885HTT 3222/4885HPGD 312/4885

“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.