SCHEMBL4568016

SCHEMBL4568016

CC(C)(C)OC(=O)Nc1cc(Cl)ccc1CC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTGER1 P34995 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.39
GRIK1 P39086 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16614204 0.88 IDO1 (0.45) IDO1HSP90AA1HSP90AB1PTGER1KMT2A
SCHEMBL4568021 0.86 CYP1A2 (0.43) ALDH1A1SMN1; SMN2HPGDTP53CYP2C9
SCHEMBL8296753 0.86 IDO1 (0.43) IDO1HSP90AA1HSP90AB1PTGER1KMT2A
SCHEMBL17230177 0.85 IDO1 (0.46) IDO1HSP90AA1HSP90AB1PTGER1KMT2A
SCHEMBL31021659 0.85 IDO1 (0.46) IDO1HSP90AA1HSP90AB1PTGER1KMT2A
SCHEMBL17930966 0.84 IDO1 (0.46) IDO1HSP90AA1HSP90AB1PTGER1KMT2A
SCHEMBL31021847 0.84 IDO1 (0.46) IDO1HSP90AA1HSP90AB1PTGER1KMT2A
SCHEMBL4568014 0.83 SMN1; SMN2 (0.41) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL4568027 0.83 CYP17A1 (0.38) GAA
SCHEMBL3787046 0.80 KMT2A (0.54) IDO1HSP90AA1HSP90AB1KMT2AMEN1

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-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 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 IDO1 8/4885HSP90AA1 3653/4885HSP90AB1 3083/4885

“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.