SCHEMBL4167791

SCHEMBL4167791

CCCCc1cc(C=O)sc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TYR P14679 2/20 0.36
CYP2A6 P11509 4/20 0.34
CTRC Q99895 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
SKP2 Q13309 1/20 0.32
GAA P10253 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
TLR8 Q9NR97 1/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL28096095 0.93 HIF1A (0.41) ALDH1A1TYRHIF1AEPAS1CYP3A4
SCHEMBL18041198 0.93 HIF1A (0.41) ALDH1A1TYRHIF1AEPAS1CYP3A4
SCHEMBL18041179 0.93 HIF1A (0.41) ALDH1A1TYRHIF1AEPAS1CYP3A4
SCHEMBL4164736 0.89 CYP2A6 (0.36) ALDH1A1CYP2A6ALDH3A1ALDH1A3
SCHEMBL3687208 0.83 CYP2A6 (0.39) ALDH1A1CYP2A6ALDH3A1ALDH1A3
SCHEMBL19614807 0.81 GPR35 (0.32) TYRHIF1AEPAS1CYP3A4MEN1
SCHEMBL27097371 0.81 GPR35 (0.32) TYRHIF1AEPAS1CYP3A4MEN1
SCHEMBL7985208 0.81 ALDH1A1 (0.35) ALDH1A1TYRCYP2A6CTRCHIF1A
SCHEMBL19614811 0.80 GPR35 (0.32) TYRHIF1AEPAS1CYP3A4MEN1
SCHEMBL28228322 0.80 HIF1A (0.44) CYP2A6HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20030216388-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2003-11-20 US disclosed
US-6566358-B2 1,4-dihydro-benzo(d)oxazin-2-one derivatives useful for treating hormone-dependent neoplastic disease is selected from uterine myometrial fibroids, endometriosis, benign prostatic hypertrophy, carcinomas, and adenocarcinoma WYETH 2003-05-20 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-1349415-A Contraceptive compositions contaiing antiprogesting and progestinic AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
CN-1349517-A Cyclocarbamate 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-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 (5 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 ALDH1A1 1981/4885TYR 4657/4885CYP2A6 305/4885
US-20030216388-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C2, NR5A1, PGR ALDH1A1 2833/4885TYR 4844/4885CYP2A6 61/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 ALDH1A1 1401/4885TYR 4788/4885CYP2A6 83/4885
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators PGR, NR3C2, NR5A1 ALDH1A1 2671/4885TYR 4827/4885CYP2A6 40/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 ALDH1A1 3329/4885TYR 4484/4885CYP2A6 27/4885

“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.