SCHEMBL982224

SCHEMBL982224

Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@]4(O)/C=C\C(=O)O)[C@H]3CCC(=O)C=C23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.43
▸ AR P10275 5/20 0.43
▸ CYP19A1 P11511 2/20 0.38
▸ NR3C2 P08235 1/20 0.36
▸ CYP3A4 P08684 4/20 0.34
▸ ABCB11 O95342 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ NR3C1 P04150 2/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SHBG P04278 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL987636 0.90 PGR (0.45) PGRARCYP19A1NR3C2CYP3A4
SCHEMBL923899 0.87 PGR (0.45) PGRARCYP19A1NR3C2CYP3A4
SCHEMBL926798 0.87 PGR (0.45) PGRARCYP19A1NR3C2CYP3A4
SCHEMBL925815 0.81 PGR (0.39) PGRARCYP19A1NR3C2CYP3A4
SCHEMBL13372567 0.80 PGR (0.46) PGRARCYP19A1NR3C2
SCHEMBL13013768 0.79 AR (0.54) PGRARCYP19A1NR3C2
SCHEMBL13062176 0.79 PGR (0.44) PGRARCYP19A1NR3C2
SCHEMBL16564584 0.79 PGR (0.46) PGRARCYP19A1NR3C2CYP3A4
SCHEMBL3763146 0.79 PGR (0.46) PGRARCYP19A1NR3C2CYP3A4
SCHEMBL13372653 0.76 CYP19A1 (0.36) PGRARCYP19A1NR3C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937058-B2 17-hydroxy-19-nor-21-carboxylic acid-steroid γ-lactone derivative, use thereof, and medicament containing the derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-20 — — US disclosed
US-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-01-27 — — 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-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE CYP17A1, NR5A1, CYP19A1 PGR 29/4885AR 39/4885CYP19A1 3/4885

“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.

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