SCHEMBL5210657

SCHEMBL5210657

COc1ccc2[nH]c(C)c(CC(=O)Nc3c(O)cccc3C(=O)O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.59
▸ HDAC1 Q13547 9/20 0.51
▸ MTNR1A P48039 2/20 0.49
▸ MTNR1B P49286 2/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PTPN5 P54829 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ HDAC3 O15379 1/20 0.44

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
SCHEMBL5206552 0.85 AKR1C2 (0.63) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL6752331 0.83 AKR1C2 (0.58) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL5212941 0.82 AKR1C2 (0.58) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL5214528 0.80 AKR1C2 (0.61) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL5205838 0.80 AKR1C2 (0.61) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL5210270 0.79 AKR1C2 (0.60) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL5208570 0.78 AKR1C2 (0.59) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL5209238 0.78 AKR1C2 (0.59) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL5208935 0.78 MEN1 (0.62) AKR1C2HDAC1MTNR1AMTNR1BMEN1
SCHEMBL5209948 0.78 MAPT (0.62) AKR1C2HDAC1MTNR1AMTNR1BMEN1

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-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 — — US claimed
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 — — US disclosed
EP-1343757-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2007-02-14 — — EP disclosed
US-20040092569-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 2004-05-13 — — US disclosed
EP-1343757-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-09-17 — — EP disclosed
WO-2002050031-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-06-27 — — 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-20040092569-A1 Indole derivatives PTGER4, PTGER1, TRPV4 AKR1C2 1632/4885HDAC1 1653/4885MTNR1A 48/4885

“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.

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