SCHEMBL2887707

SCHEMBL2887707

C=CC[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.54
STAT3 P40763 1/20 0.42
FAAH O00519 4/20 0.40
IDH1 O75874 4/20 0.38
NAAA Q02083 1/20 0.38
MGLL Q99685 1/20 0.37
SLC1A1 P43005 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2887710 1.00 IL6ST (0.54) IL6STSTAT3FAAHIDH1NAAA
SCHEMBL5523293 0.91 IL6ST (0.53) IL6STSTAT3FAAHIDH1NAAA
SCHEMBL7321939 0.87 IL6ST (0.59) IL6STSTAT3IDH1NAAA
SCHEMBL7321930 0.87 IL6ST (0.59) IL6STSTAT3IDH1NAAA
SCHEMBL7438121 0.87 IL6ST (0.59) IL6STSTAT3IDH1NAAA
SCHEMBL29866134 0.85 PPARA (0.40) IL6STFAAHIDH1NAAAMGLL
SCHEMBL7359508 0.79 IL6ST (0.55) IL6STSTAT3FAAHIDH1NAAA
SCHEMBL6432729 0.79 IL6ST (0.50) IL6STSTAT3IDH1NAAA
SCHEMBL7359514 0.79 IL6ST (0.55) IL6STSTAT3FAAHIDH1NAAA
SCHEMBL30984038 0.79 IL6ST (0.56) IL6STSTAT3FAAHIDH1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 IL6ST 3137/4885STAT3 3295/4885FAAH 963/4885

“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.