SCHEMBL3877835

SCHEMBL3877835

O=S(=O)(OCc1cccc(F)c1F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
AKR1B1 P15121 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ALKBH1 Q13686 1/20 0.36
CA1 P00915 1/20 0.36
RIPK1 Q13546 1/20 0.35
LMNA P02545 2/20 0.35
GUCY1B2 O75343 2/20 0.35
GUCY1A2 P33402 2/20 0.35
GUCY1A1 Q02108 2/20 0.35
GUCY1B1 Q02153 2/20 0.35
IDO1 P14902 2/20 0.34
KMT2A Q03164 2/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
KEAP1 Q14145 1/20 0.33
KAT6A Q92794 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL776996 0.86 IDO1 (0.48) CA2CA1LMNAIDO1KMT2A
Ammonia Solution, Strong SCHEMBL28355658 0.85 IDO1 (0.47) CA2CA1LMNAIDO1KMT2A
SCHEMBL24707429 0.79 AKR1B1 (0.39) AKR1B1FFAR4ALKBH1RIPK1LMNA
SCHEMBL9745651 0.75 TDP1 (0.45) CA2AKR1B1KMT2AMEN1
SCHEMBL29040316 0.75 AKR1B1 (0.37) AKR1B1FFAR4RIPK1LMNAKMT2A
SCHEMBL5679281 0.75 CA2 (0.45) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL21645319 0.75 IDO1 (0.56) CA2AKR1B1FFAR4IDO1KMT2A
SCHEMBL5676950 0.75 IDO1 (0.47) CA2IDO1ALDH1A1
SCHEMBL28509699 0.75 CA2 (0.49) CA2FFAR4CA1IDO1KMT2A
Ammonia Solution, Strong SCHEMBL28583692 0.73 CA2 (0.47) CA2FFAR4CA1IDO1KMT2A

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 29 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-20030092711-A1 Contraceptives; hormone replacement therapy WYETH LLC 2003-05-15 US disclosed
US-20030045511-A1 Combination regimens using progesterone receptor modulators WYETH 2003-03-06 US disclosed
US-6509334-B1 This invention relates to compounds that antagonists of the progesterone receptor, their preparation and utility. Intracellular receptors (IR) form a class of structurally related gene regulators known as \"ligand dependent AMERICAN HOME PRODUCTS CORPORATION 2003-01-21 US disclosed
US-6436929-B1 3,1-BENZOXAZINE-2-THIONES; CONTRACEPTION AND THE TREATMENT OF PROGESTERONE-RELATED MALADIES WYETH 2002-08-20 US disclosed
CN-1349516-A Cyclothiocarbamate derivatives as progesterone receptor modulators AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173426-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-23 EP 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 (7 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-20030045511-A1 Combination regimens using progesterone receptor modulators GNRHR, PGR, PRLHR CA2 972/4885AKR1B1 437/4885FFAR4 502/4885
US-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 CA2 3348/4885AKR1B1 649/4885FFAR4 1115/4885
US-20030092711-A1 Contraceptives; hormone replacement therapy PGR, GNRHR, GHRHR CA2 4563/4885AKR1B1 330/4885FFAR4 1602/4885
US-20130072480-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 CA2 3348/4885AKR1B1 649/4885FFAR4 1115/4885
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 CA2 3348/4885AKR1B1 649/4885FFAR4 1115/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 CA2 360/4885AKR1B1 247/4885FFAR4 542/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 CA2 297/4885AKR1B1 347/4885FFAR4 522/4885

“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.