SCHEMBL6772024

SCHEMBL6772024

CC1(C)CC(=S)Nc2ccc(-c3cccc(C#N)c3)cc21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 18/20 0.62
AR P10275 1/20 0.51
BACE1 P56817 1/20 0.42
CHEK1 O14757 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL6769277 0.85 PGR (0.67) PGRARBACE1CHEK1NR3C1
SCHEMBL6769755 0.84 PGR (0.66) PGRARNR3C1
SCHEMBL6771936 0.80 PGR (0.68) PGR
SCHEMBL6777083 0.80 PGR (0.60) PGR
SCHEMBL3870851 0.77 PGR (1.00) PGRNR3C1
SCHEMBL14989874 0.77 PGR (0.65) PGRARNR3C1
SCHEMBL3518135 0.75 PGR (1.00) PGRARCHEK1
SCHEMBL4423015 0.74 PGR (1.00) PGRARBACE1CHEK1
SCHEMBL4104108 0.73 PGR (1.00) PGRNR3C1
SCHEMBL3872645 0.72 PGR (1.00) PGRARNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693103-B2 CONTRACEPTION, TREATMENT OF FIBROIDS, ANTICARCINOGENIC AND -TUMOR AGENTS (ENDOMETRIOSIS, BREAST, UTERINE, OVARIAN AND PROSTATE CANCER), AND POST MENOPAUSAL HORMONE REPLACEMENT THERAPY; BENIGN PROSTATIC HYPERTROPHY; ADENOCARCINOMAS WYETH 2004-02-17 US claimed
US-20020094983-A1 Quinazolinone and benzoxazine derivatives as progesterone receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2002-07-18 US claimed
US-6693103-B2 CONTRACEPTION, TREATMENT OF FIBROIDS, ANTICARCINOGENIC AND -TUMOR AGENTS (ENDOMETRIOSIS, BREAST, UTERINE, OVARIAN AND PROSTATE CANCER), AND POST MENOPAUSAL HORMONE REPLACEMENT THERAPY; BENIGN PROSTATIC HYPERTROPHY; ADENOCARCINOMAS WYETH 2004-02-17 US disclosed
US-6498154-B1 CONTRACEPTION; PROGESTATIONAL ACTIVE LEVONORGESTREL AND AN ANTIPROGESTIN COMPOUND WYETH 2002-12-24 US disclosed
US-20020094983-A1 Quinazolinone and benzoxazine derivatives as progesterone receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2002-07-18 US disclosed
US-6358948-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS AGAINST BREAST, PITUITARY, OVARIAN, ENDOMETRIUM, AND PROSTATE CANCER; BENIGN PROSTATIC HYPERPLASIA; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-19 US disclosed
EP-1175404-A1 QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-30 EP disclosed
WO-2000066560-A1 QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS 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 (1 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-20020094983-A1 Quinazolinone and benzoxazine derivatives as progesterone receptor modulators PGR, NR3C1, NR3C2 PGR 1/4885AR 16/4885BACE1 4407/4885

“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.