SCHEMBL5227050

SCHEMBL5227050

Cc1cc(C#N)sc1-c1ccc2c(c1)C1(CCCCC1)C(=O)N2

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.76
NR3C1 P04150 2/20 0.56
NR3C2 P08235 2/20 0.56
AR P10275 2/20 0.56
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL5228182 0.99 PGR (0.74) PGRNR3C1NR3C2ARPDE4A
SCHEMBL3520566 0.88 PGR (0.67) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL4101396 0.86 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL4098486 0.84 PGR (0.73) PGRNR3C1NR3C2AR
SCHEMBL4098488 0.84 PGR (0.73) PGRNR3C1NR3C2AR
SCHEMBL3423569 0.84 PGR (0.72) PGRNR3C1NR3C2AR
SCHEMBL3423573 0.84 PGR (0.72) PGRNR3C1NR3C2AR
SCHEMBL3526645 0.82 PGR (1.00) PGRNR3C1NR3C2ARPDE4A
SCHEMBL5226807 0.81 PGR (0.75) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3870266 0.81 PGR (0.67) PGRNR3C1NR3C2AR

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
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 EP claimed
US-6946454-B2 Thio-oxindole derivatives WYETH (US) 2005-09-20 US disclosed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US disclosed
US-20020169198-A1 Thio-oxindole derivatives WYETH (US) 2002-11-14 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 (2 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-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 PGR 2/4885NR3C1 14/4885NR3C2 8/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 PGR 5/4885NR3C1 178/4885NR3C2 59/4885

“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.