Sugi Predict

Sugi Predict / Compounds / SCHEMBL4207166

SCHEMBL4207166

SCHEMBL4207166

C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.52
▸ PGR P06401 4/20 0.52
▸ SERPINA6 P08185 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SHBG P04278 2/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ SRD5A2 P31213 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ HIF1A Q16665 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ ABCB11 O95342 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ESR1 P03372 1/20 0.37

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
SCHEMBL10089004 1.00 AR (0.52) ARPGRSERPINA6ALDH1A1SHBG
SCHEMBL4110108 0.84 PGR (0.52) ARPGRSERPINA6ALDH1A1SHBG
SCHEMBL13334773 0.83 AR (0.54) ARPGRSERPINA6ALDH1A1SHBG
SCHEMBL3744048 0.83 ALDH1A1 (0.69) ARPGRSERPINA6ALDH1A1SHBG
SCHEMBL4210003 0.83 ALDH1A1 (0.69) ARPGRSERPINA6ALDH1A1SHBG
SCHEMBL10089007 0.83 ALDH1A1 (0.69) ARPGRSERPINA6ALDH1A1SHBG
SCHEMBL4210002 0.78 PGR (0.52) ARPGRSERPINA6ALDH1A1SHBG
SCHEMBL4214412 0.78 PGR (0.62) ARPGRALDH1A1SHBGCYP19A1
SCHEMBL14009902 0.78 SERPINA6 (0.45) ARPGRSERPINA6ALDH1A1SHBG
SCHEMBL13769111 0.76 PGR (0.48) ARPGRSERPINA6ALDH1A1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170925-B1 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP claimed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US claimed
EP-2170925-B1 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 — — US disclosed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 — — US disclosed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 — — US disclosed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — 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-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 AR 109/4885PGR 87/4885SERPINA6 860/4885

“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.