SCHEMBL8762247

SCHEMBL8762247

CC(C)CC(=O)Cc1cc(Cl)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.46
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
IDO1 P14902 2/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LPAR1 Q92633 1/20 0.37
AAK1 Q2M2I8 3/20 0.37
TRPA1 O75762 1/20 0.37
P2RX3 P56373 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ANO1 Q5XXA6 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
SCHEMBL5729946 0.86 PTGER1 (0.45) PTGER1HSP90AA1HSP90AB1IDO1TP53
SCHEMBL9103395 0.82 ALDH1A1 (0.39) SMN1; SMN2GAAALDH1A1LPAR1MEN1
SCHEMBL21734883 0.82 IDO1 (0.44) PTGER1HSP90AA1HSP90AB1IDO1TP53
SCHEMBL8760784 0.81 PTGER1 (0.41) PTGER1HSP90AA1HSP90AB1IDO1TP53
SCHEMBL29927204 0.81 GAA (0.44) PTGER1HSP90AA1HSP90AB1IDO1TP53
SCHEMBL1196841 0.81 GAA (0.44) PTGER1HSP90AA1HSP90AB1IDO1TP53
SCHEMBL4568381 0.81 ALDH1A1 (0.46) SMN1; SMN2GAAALDH1A1AAK1
SCHEMBL23254120 0.80 IDO1 (0.43) PTGER1HSP90AA1HSP90AB1IDO1TP53
SCHEMBL16799845 0.79 SLC6A4 (0.43) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9
SCHEMBL31718056 0.79 SLC6A4 (0.43) PTGER1HSP90AA1HSP90AB1IDO1CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 WO 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-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 PTGER1 1/4885HSP90AA1 3578/4885HSP90AB1 2945/4885

“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.