SCHEMBL4120633

SCHEMBL4120633

CCC1(CC)OC(=O)Nc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALPL P05186 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALPI P09923 1/20 0.41
GAA P10253 1/20 0.41
ALPG P10696 1/20 0.41
TLR9 Q9NR96 1/20 0.41
AKR1B1 P15121 1/20 0.40
PGR P06401 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HSD11B1 P28845 1/20 0.38
USP2 O75604 1/20 0.37
F2 P00734 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
SCHEMBL5516094 0.83 LMNA (0.42) ELOVL6MAPTLMNAMEN1KMT2A
SCHEMBL10960160 0.81 ELOVL6 (0.45) ELOVL6PGR
SCHEMBL10531285 0.81 ELOVL6 (0.42) ELOVL6PGR
SCHEMBL3873417 0.81 ELOVL6 (0.42) ELOVL6PGRTGM2CES1
SCHEMBL10956566 0.79 PGR (0.50) ELOVL6MEN1KMT2AGAAAKR1B1
Brofoxine SCHEMBL61925 0.79 PGR (0.59) PGR
Brofoxine SCHEMBL29710912 0.79 PGR (0.59) PGR
SCHEMBL4847852 0.78 ELOVL6 (0.43) ELOVL6PGR
SCHEMBL4840478 0.77 POLB (0.44) ELOVL6LMNAMEN1KMT2AGAA
SCHEMBL4845321 0.77 PGR (0.57) ELOVL6MEN1KMT2AALPLAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197878-A1 SUBSTITUTED BENZO[d][1,3]OXAZIN-2(4H)-ONES AND RELATED DERIVATIVES AND THEIR USES FOR MODULATING THE PROGESTERONE RECEPTOR WYETH (US) 2009-08-06 US disclosed
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-1515725-A4 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP 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-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 (3 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-20090197878-A1 SUBSTITUTED BENZO[d][1,3]OXAZIN-2(4H)-ONES AND RELATED DERIVATIVES AND THEIR USES FOR MODULATING THE PROGESTERONE RECEPTOR GNRHR, GPER1, FSHR ELOVL6 3079/4885MAPT 4852/4885LMNA 425/4885
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives ESRRA, GNRHR, ESRRG ELOVL6 3400/4885MAPT 1080/4885LMNA 844/4885
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders NR5A1, MC1R, CYP17A1 ELOVL6 2722/4885MAPT 821/4885LMNA 4684/4885

“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.