SCHEMBL4948092

SCHEMBL4948092

COC(=O)Cc1cccc(CCCCOS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
SLC7A5 Q01650 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP19A1 P11511 1/20 0.40
FKBP1A P62942 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP24A1 Q07973 1/20 0.38
STAT3 P40763 1/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL29768576 0.84 CYP4F2 (0.58) PSMD10SLC7A5CYP4F2CYP4A11MAPT
SCHEMBL29084501 0.84 CYP4F2 (0.58) PSMD10SLC7A5CYP4F2CYP4A11MAPT
SCHEMBL18934283 0.84 CYP19A1 (0.48) PSMD10CYP19A1FKBP1AALDH1A1CYP24A1
SCHEMBL28710589 0.82 CYP24A1 (0.42) CYP19A1FKBP1ALMNAALDH1A1CYP24A1
SCHEMBL2792993 0.80 EGFR (0.48) EGFRERBB2CYP19A1FKBP1AALDH1A1
SCHEMBL18926556 0.79 CNR2 (0.48) PSMD10CYP19A1ALDH1A1CYP24A1
SCHEMBL2310681 0.79 FKBP1A (0.51) FKBP1ALMNAALDH1A1CYP24A1MEN1
SCHEMBL18289526 0.79 CYP19A1 (0.50) CYP19A1CYP24A1STAT3MEN1KMT2A
SCHEMBL18530397 0.78 CTSG (0.40) PSMD10CTSGCMA1SLC7A5EGFR
SCHEMBL7459364 0.78 FKBP1A (0.50) FKBP1ALMNAALDH1A1CYP24A1L3MBTL1

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
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA PSMD10 2635/4885CTSG 2179/4885CMA1 4462/4885

“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.