SCHEMBL503558

SCHEMBL503558

CC(C)Oc1ccc(Oc2ccc3c(c2)c(C(=O)O)c(CC(=O)O)n3-c2ccc(OCc3ccccc3Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SLC26A4 O43511 1/20 0.44
NR4A2 P43354 2/20 0.41
USP14 P54578 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.39
PTGDR Q13258 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.38
MDM2 Q00987 1/20 0.37
PLA2G4A P47712 1/20 0.37

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
SCHEMBL503499 0.90 MDM2 (0.45) MEN1KMT2AUSP14PTGDRKDM4E
SCHEMBL503414 0.88 USP14 (0.42) MEN1KMT2AUSP14PTGDRTP53
SCHEMBL503844 0.88 MAOB (0.41) MEN1KMT2AUSP14MAOBMAOA
SCHEMBL503625 0.87 USP14 (0.44) MEN1KMT2ASLC26A4NR4A2USP14
SCHEMBL504142 0.87 MEN1 (0.44) MEN1KMT2ASLC26A4USP14MAOB
SCHEMBL503554 0.86 MEN1 (0.45) MEN1KMT2ASLC26A4NR4A2USP14
SCHEMBL503872 0.86 USP14 (0.48) MEN1KMT2AUSP14PTGDRKDM4E
SCHEMBL503599 0.85 MAOB (0.40) MEN1KMT2AUSP14MAOBPTGDR
SCHEMBL503871 0.85 MEN1 (0.48) MEN1KMT2ATP53KDM4ENPC1
SCHEMBL503475 0.85 KMT2A (0.43) MEN1KMT2ATP53KDM4EMAPT

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 3 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
US-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 US disclosed
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 1783/4885SLC26A4 2206/4885

“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.