SCHEMBL4568066

SCHEMBL4568066

COc1ccc(CC(=O)c2ccc(C)s2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 6/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
NR1I2 O75469 1/20 0.36
DYRK1A Q13627 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL4568069 0.85 MAPT (0.38) POLBMAPTSMN1; SMN2TP53MEN1
SCHEMBL4568056 0.83 MAPT (0.45) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4568059 0.82 TSHR (0.39) GAAPOLBSMN1; SMN2TP53MEN1
SCHEMBL4568052 0.81 NPC1 (0.46) GAAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL7963161 0.81 KMT2A (0.40) GAANPSR1POLBMAPTALDH1A1
SCHEMBL4568012 0.80 KMT2A (0.45) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4568050 0.80 NPC1 (0.50) GAANPSR1MAPTALDH1A1KDM4E
SCHEMBL4568051 0.80 KCNK3 (0.45) GAAPOLBSMN1; SMN2TP53HSD17B10
SCHEMBL4568014 0.79 SMN1; SMN2 (0.41) GAANPSR1POLBMAPTALDH1A1
SCHEMBL4568067 0.79 KMT2A (0.50) GAAPOLBMAPTALDH1A1SMN1; SMN2

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
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R GAA 4525/4885NPSR1 27/4885POLB 4054/4885

“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.