SCHEMBL4568381

SCHEMBL4568381

COc1cc(NC(=O)OC(C)(C)C)c(CC(=O)CC(C)C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
AAK1 Q2M2I8 5/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
STAT3 P40763 1/20 0.38
POLB P06746 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36

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
SCHEMBL15998661 0.88 ALDH1A1 (0.36) ALDH1A1HPGDGAASMN1; SMN2AAK1
SCHEMBL4568383 0.87 ALDH1A1 (0.44) ALDH1A1HPGDGAANPSR1LMNA
SCHEMBL4568378 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL4568380 0.83 ALDH1A1 (0.43) ALDH1A1HPGDGAANPSR1LMNA
SCHEMBL4568379 0.81 ALDH1A1 (0.45) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL8762247 0.81 PTGER1 (0.46) ALDH1A1GAASMN1; SMN2AAK1
SCHEMBL4568019 0.80 MTNR1B (0.40) ALDH1A1HPGDNPSR1SMN1; SMN2MAPK1
SCHEMBL4568367 0.79 MEN1 (0.43) ALDH1A1HPGDGAANPSR1LMNA
SCHEMBL31744674 0.78 ALDH1A1 (0.59) ALDH1A1HPGDNPSR1LMNATSHR
SCHEMBL4568353 0.76 ALDH1A1 (0.47) ALDH1A1NPSR1LMNATSHRL3MBTL1

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-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 ALDH1A1 422/4885HPGD 1020/4885GAA 4525/4885

“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.