SCHEMBL3687208

SCHEMBL3687208

CCc1cc(C=O)sc1Br

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.39
ALDH1A1 P00352 3/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A3 P47895 2/20 0.33
USP2 O75604 1/20 0.33
ALDH3A1 P30838 1/20 0.32
LMNA P02545 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
SCHEMBL4164736 0.86 CYP2A6 (0.36) CYP2A6ALDH1A1ALDH1A3ALDH3A1
SCHEMBL4167791 0.83 ALDH1A1 (0.38) CYP2A6ALDH1A1ALDH1A3ALDH3A1
SCHEMBL18041198 0.81 HIF1A (0.41) ALDH1A1
SCHEMBL18041179 0.81 HIF1A (0.41) ALDH1A1
SCHEMBL27845494 0.77 CYP2A6 (0.36) CYP2A6ALDH1A1LMNA
SCHEMBL2742441 0.75 CYP2A6 (0.35) CYP2A6ALDH1A1
SCHEMBL18041178 0.75 TSHR (0.35) ALDH1A1LMNA
SCHEMBL336602 0.74
SCHEMBL56694 0.73 USP2 (0.50) CYP2A6ALDH1A1ALDH1A3USP2ALDH3A1
SCHEMBL15989497 0.73 MEN1 (0.38) ALDH1A1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184994-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-19 EP 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
WO-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
CN-1179753-C Contraceptive compositions contaiing antiprogesting and progestinic 2004-12-15 CN disclosed
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2004-09-23 US disclosed
EP-1173210-B1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC WYETH CORP (US) 2004-09-15 EP disclosed
US-6759408-B2 CYCLIC COMBINATION THERAPIES AND REGIMENS UTILIZING SUBSTITUTED INDOLINE DERIVATIVE COMPOUNDS WHICH ARE ANTAGONISTS OF THE PROGESTERONE RECEPTOR WYETH 2004-07-06 US disclosed
CN-1145618-C Cyclocarbamate derivatives as progesterone receptor modulators �Ʒ� 2004-04-14 CN disclosed
US-6713478-B2 SUCH AS 8-BROMO-6-(3-CHLORO-4-FLUOROPHENYL)-4,4-DIMETHYL-1,4-DIHYDRO-2H-3,1 -BENZOXAZIN-2-ONE; PROGESTERONE RECEPTOR ANTAGONISTS WYETH 2004-03-30 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-6444668-B1 IN COMBINATION WITH A PROGESTIN, AN ESTROGEN, OR BOTH; ANTIPROGESTIN IS A 1,4-DIHYDRO-BENZO(D)(1.3)OXAZIN-2-ONE WYETH 2002-09-03 US disclosed
CN-1349517-A Cyclocarbamate derivatives as progesterone receptor modulators AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
CN-1349415-A Contraceptive compositions contaiing antiprogesting and progestinic 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-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-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 (4 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 CYP2A6 305/4885ALDH1A1 1981/4885GABRA1 382/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 CYP2A6 83/4885ALDH1A1 1401/4885GABRA1 164/4885
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators PGR, NR3C2, NR5A1 CYP2A6 40/4885ALDH1A1 2671/4885GABRA1 141/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 CYP2A6 27/4885ALDH1A1 3329/4885GABRA1 163/4885

“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.