Sugi Predict

Sugi Predict / Compounds / SCHEMBL3744054

SCHEMBL3744054

SCHEMBL3744054

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.40
▸ SHBG P04278 4/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ CYP19A1 P11511 10/20 0.39
▸ LMNA P02545 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ AR P10275 3/20 0.38
▸ NR3C1 P04150 2/20 0.38
▸ PGR P06401 2/20 0.38
▸ SERPINA6 P08185 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SNCA P37840 2/20 0.38
▸ CACNA1C Q13936 2/20 0.38
▸ CYP51A1 Q16850 2/20 0.38
▸ GPBAR1 Q8TDU6 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ OR51E2 Q9H255 1/20 0.38
▸ SRD5A1 P18405 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
SCHEMBL3749073 1.00 CYP17A1 (0.40) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL3744150 0.82 SHBG (0.57) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL3752458 0.82 SHBG (0.57) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL3749413 0.82 SHBG (0.57) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL13335955 0.82 SHBG (0.57) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL3752450 0.80 CYP19A1 (0.59) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL3759365 0.80 CYP19A1 (0.59) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL3746385 0.80 CYP19A1 (0.59) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL3751400 0.80 CYP19A1 (0.59) CYP17A1SHBGCYP3A4CYP19A1LMNA
SCHEMBL3744539 0.80 SRD5A2 (0.50) CYP17A1SHBGCYP3A4CYP19A1LMNA

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 5 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
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 CYP17A1 4/4885SHBG 24/4885CYP3A4 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.