SCHEMBL3874152

SCHEMBL3874152

CCCCc1cc(C#N)sc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYR P14679 1/20 0.33
MME P08473 1/20 0.32
AR P10275 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL3526261 0.89 PGR (0.38) PGRMMEAR
SCHEMBL4164652 0.82 MME (0.32) MMEAR
SCHEMBL25796377 0.77 ALOX5 (0.36) MEN1MAPTALOX15TSHRHTT
SCHEMBL4586050 0.76 TYR (0.37) MEN1MAPTHPGDALOX15TSHR
SCHEMBL3466429 0.76 TYR (0.37) MEN1MAPTHPGDALOX15TSHR
SCHEMBL14038298 0.74 TYR (0.36) ALDH1A1MEN1MAPTHPGDALOX15
SCHEMBL1419676 0.69 ALOX5 (0.41) MEN1MAPTALOX15TSHRHTT
SCHEMBL196435 0.69 ALOX5 (0.41) MEN1MAPTALOX15TSHRHTT
SCHEMBL16139825 0.69 ALOX5 (0.41) MEN1MAPTALOX15TSHRHTT
SCHEMBL1419440 0.69 ALOX5 (0.41) MEN1MAPTALOX15TSHRHTT

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796266-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2014-08-05 US disclosed
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC 2013-10-03 US disclosed
US-8466146-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2013-06-18 US disclosed
US-20130072480-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC (US) 2013-03-21 US disclosed
US-8329690-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2012-12-11 US disclosed
US-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-11-12 US disclosed
US-7569564-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-08-04 US disclosed
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-04-30 US disclosed
US-7488822-B2 Cyclocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-02-10 US disclosed
EP-1175411-B1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH CORP (US) 2008-02-20 EP disclosed
US-6436929-B1 3,1-BENZOXAZINE-2-THIONES; CONTRACEPTION AND THE TREATMENT OF PROGESTERONE-RELATED MALADIES WYETH 2002-08-20 US disclosed
US-20020103248-A1 Thio-oxindole derivatives WYETH LLC 2002-08-01 US disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
EP-1181275-A1 THIO-OXINDOLE DERIVATIVES American Home Products Corporation (US) 2002-02-27 EP disclosed
EP-1173426-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066555-A1 THIO-OXINDOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066571-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (6 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-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 PGR 1/4885ALDH1A1 3042/4885MEN1 4319/4885
US-20130072480-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 PGR 1/4885ALDH1A1 3042/4885MEN1 4319/4885
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 PGR 1/4885ALDH1A1 3042/4885MEN1 4319/4885
US-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885ALDH1A1 840/4885MEN1 2145/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 PGR 5/4885ALDH1A1 1401/4885MEN1 3804/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 PGR 1/4885ALDH1A1 3329/4885MEN1 3509/4885

“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.