SCHEMBL6766044

SCHEMBL6766044

CC1Nc2ccc(-c3cccn3C(=O)OC(C)(C)C)cc2C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 16/20 0.47
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
TNK2 Q07912 1/20 0.34
BUB1 O43683 1/20 0.34

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
SCHEMBL1222819 0.82 PGR (0.48) PGRHSP90AA1HSP90AB1
SCHEMBL3988392 0.81 PGR (0.50) PGRHSP90AA1HSP90AB1BUB1
SCHEMBL1222776 0.78 PGR (0.47) PGRHSP90AA1HSP90AB1BUB1
SCHEMBL3984955 0.74 PGR (0.44) PGRHSP90AA1HSP90AB1TNK2
SCHEMBL6776264 0.73 BACE1 (0.36) PGRHSP90AA1HSP90AB1PIK3R1PIK3CA
SCHEMBL3981867 0.73 PGR (0.51) PGRHSP90AA1HSP90AB1PIK3R1PIK3CA
SCHEMBL6766042 0.72 PGR (0.47) PGR
SCHEMBL3984967 0.72 PGR (0.57) PGRHSP90AA1HSP90AB1PIK3R1PIK3CA
SCHEMBL7205542 0.72 CRBN (0.48) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL3983360 0.71 PGR (0.57) PGRHSP90AA1HSP90AB1

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 4 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 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

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 1/4885HSP90AA1 2994/4885HSP90AB1 2632/4885

“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.