SCHEMBL5729946

SCHEMBL5729946

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.45
IDO1 P14902 2/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP2C9 P11712 1/20 0.40
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
LPAR1 Q92633 1/20 0.39

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
SCHEMBL8760784 0.89 PTGER1 (0.41) PTGER1IDO1TP53SMN1; SMN2HSP90AA1
SCHEMBL8762247 0.86 PTGER1 (0.46) PTGER1IDO1TP53SMN1; SMN2HSP90AA1
SCHEMBL21734883 0.85 IDO1 (0.44) PTGER1IDO1TP53HSP90AA1HSP90AB1
SCHEMBL1196841 0.84 GAA (0.44) PTGER1IDO1TP53HSP90AA1HSP90AB1
SCHEMBL29927204 0.84 GAA (0.44) PTGER1IDO1TP53HSP90AA1HSP90AB1
SCHEMBL23254120 0.83 IDO1 (0.43) PTGER1IDO1TP53SMN1; SMN2HSP90AA1
SCHEMBL31718056 0.82 SLC6A4 (0.43) PTGER1IDO1HSP90AA1HSP90AB1CYP2C9
SCHEMBL18104501 0.82 MAPT (0.42) PTGER1IDO1TP53HSP90AA1HSP90AB1
SCHEMBL16799845 0.82 SLC6A4 (0.43) PTGER1IDO1HSP90AA1HSP90AB1CYP2C9
SCHEMBL6628806 0.81 PDK1 (0.56) IDO1SMN1; SMN2HSP90AA1HSP90AB1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
US-6852726-B2 Substituted indoles as alpha-1 agonists SYNTEX LLC (US) 2005-02-08 US disclosed
EP-1501826-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. Hoffman-la Roche AG (CH) 2005-02-02 EP disclosed
US-20030220319-A1 Substituted indoles as alpha-1 agonists SYNTEX (U.S.A.) LLC 2003-11-27 US disclosed
WO-2003064387-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2003-08-07 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-20030220319-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1B PTGER1 146/4885IDO1 207/4885TP53 4319/4885

“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.