SCHEMBL5518253

SCHEMBL5518253

O=C1Nc2ccc(Br)cc2C2(CCC2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALPL P05186 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
TLR9 Q9NR96 1/20 0.44
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CMA1 P23946 1/20 0.39
AHR P35869 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
AKR1B1 P15121 1/20 0.37
TGM2 P21980 1/20 0.37

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
SCHEMBL4162748 0.97 LMNA (0.44) LMNAGAAL3MBTL1MAPTMEN1
SCHEMBL3883846 0.95 POLB (0.43) LMNAGAAL3MBTL1MAPTMEN1
SCHEMBL4167455 0.81 PDE7A (0.49) MAPTPGR
SCHEMBL5516089 0.77 MAPK1 (0.49) LMNAGAAMAPTMEN1KMT2A
Brofoxine SCHEMBL61925 0.76 PGR (0.59) PGR
Brofoxine SCHEMBL29710912 0.76 PGR (0.59) PGR
SCHEMBL4848524 0.73 MAPK1 (0.49) LMNAGAAMAPTMEN1KMT2A
SCHEMBL5499005 0.72 PGR (0.55) LMNAMAPTPOLBCYP3A4CYP2C19
SCHEMBL31693946 0.72 LMNA (0.44) LMNAGAAL3MBTL1MAPTMEN1
SCHEMBL5514742 0.72 MAPT (0.41) LMNAGAAL3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268149-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders WYETH (US) 2007-09-11 US disclosed
US-7192956-B2 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH (US) 2007-03-20 US disclosed
EP-1531824-A4 CYCLOTHIOCARBAMATIVE DERIVATIVES AS PR MODULATORS AND USE THEREOF FOR TREATMENT OF SKIN DISORDERS WYETH CORP (US) 2005-09-21 EP disclosed
EP-1515725-A4 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP disclosed
EP-1531824-A2 CYCLOTHIOCARBAMATIVE DERIVATIVES AS PR MODULATORS AND USE THEREOF FOR TREATMENT OF SKIN DISORDERS Wyeth (US) 2005-05-25 EP disclosed
EP-1515725-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-03-23 EP disclosed
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders WYETH 2004-01-22 US disclosed
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH 2004-01-08 US disclosed
WO-2004000801-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO disclosed
WO-2004000230-A2 CYCLOTHIOCARBAMATIVE DERIVATIVES AS PR MODULATORS AND USE THEREOF FOR TREATMENT OF SKIN DISORDERS WYETH (US) 2003-12-31 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 (2 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-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives ESRRA, GNRHR, ESRRG LMNA 844/4885GAA 4856/4885L3MBTL1 3693/4885
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders NR5A1, MC1R, CYP17A1 LMNA 4684/4885GAA 4867/4885L3MBTL1 4619/4885

“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.