Sugi Predict

Sugi Predict / Compounds / SCHEMBL3744539

SCHEMBL3744539

SCHEMBL3744539

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.50
▸ CYP17A1 P05093 4/20 0.47
▸ CYP3A4 P08684 7/20 0.45
▸ LMNA P02545 6/20 0.45
▸ SERPINA6 P08185 5/20 0.45
▸ SHBG P04278 5/20 0.45
▸ TSHR P16473 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NR3C1 P04150 3/20 0.45
▸ PGR P06401 3/20 0.45
▸ AR P10275 3/20 0.45
▸ GPBAR1 Q8TDU6 3/20 0.45
▸ SIGMAR1 Q99720 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ ABCB11 O95342 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL13046030 1.00 SRD5A2 (0.50) SRD5A2CYP17A1CYP3A4LMNASERPINA6
SCHEMBL13994339 0.83 CYP3A4 (0.47) CYP17A1CYP3A4LMNASERPINA6SHBG
SCHEMBL3366869 0.83 CYP19A1 (0.65) CYP3A4LMNASERPINA6SHBGTSHR
SCHEMBL13046037 0.81 CYP17A1 (0.69) CYP17A1CYP3A4LMNASERPINA6SHBG
SCHEMBL3748842 0.81 CYP17A1 (0.69) CYP17A1CYP3A4LMNASERPINA6SHBG
SCHEMBL3373116 0.81 CYP17A1 (0.69) CYP17A1CYP3A4LMNASERPINA6SHBG
SCHEMBL3749073 0.80 CYP17A1 (0.40) SRD5A2CYP17A1CYP3A4LMNASERPINA6
SCHEMBL3744054 0.80 CYP17A1 (0.40) SRD5A2CYP17A1CYP3A4LMNASERPINA6
SCHEMBL3754970 0.79 SHBG (0.44) SRD5A2CYP17A1CYP3A4LMNASERPINA6
SCHEMBL10089004 0.76 AR (0.52) SRD5A2CYP3A4LMNASERPINA6SHBG

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-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER SCHERING PHARMA AG (DE) 2010-11-18 — — US claimed
US-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER SCHERING PHARMA AG (DE) 2010-11-18 — — US disclosed
US-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER SCHERING PHARMA AG (DE) 2010-11-18 — — US disclosed
WO-2010066349-A1 USE OF 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 — — 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-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 SRD5A2 15/4885CYP17A1 4/4885CYP3A4 166/4885

“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.