SCHEMBL503817

SCHEMBL503817

COc1c(F)cc(Oc2ccc3c(c2)c(C(=O)O)c(CC(=O)O)n3-c2ccc(NCC3CCCCC3)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GALR1 P47211 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP14 P54578 2/20 0.32
TP53 P04637 3/20 0.32
PLA2G2A P14555 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
SSTR5 P35346 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL503816 0.81 KDM4E (0.44) EGLN1KDM4EUSP14CTSLCTSS
SCHEMBL503508 0.71 MEN1 (0.41) MEN1KMT2AKDM4EUSP14MAPT
SCHEMBL335074 0.70 TP53 (0.44) MEN1KMT2AKDM4ETP53MAPT
SCHEMBL504146 0.70 USP14 (0.41) MEN1KMT2AKDM4EUSP14MAPT
SCHEMBL504228 0.69 EPHX2 (0.39) GALR1EGLN1KDM4EUSP14ALDH1A1
SCHEMBL10051928 0.69 KDM4E (0.57) MEN1KMT2AKDM4EUSP14TP53
SCHEMBL334049 0.68 TP53 (0.42) MEN1KMT2AKDM4ETP53MAPT
SCHEMBL10051929 0.68 USP14 (0.39) MEN1KMT2AKDM4EUSP14
SCHEMBL333231 0.68 MEN1 (0.48) MEN1KMT2AKDM4EUSP14TP53
SCHEMBL504103 0.68 EPHX2 (0.41) MEN1KMT2AKDM4EUSP14ALDH1A1

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 MEN1 2934/4885KMT2A 1783/4885GALR1 398/4885

“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.