Sugi Predict

Sugi Predict / Compounds / SCHEMBL4265535

SCHEMBL4265535

SCHEMBL4265535

C[C@H]1C[C@H]2NC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](O)CC[C@H]3[C@H]12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 5/20 0.66
▸ SRD5A2 P31213 4/20 0.66
▸ SHBG P04278 5/20 0.51
▸ LMNA P02545 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ HSD3B1 P14060 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ AR P10275 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43

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
SCHEMBL4265542 1.00 SRD5A1 (0.66) SRD5A1SRD5A2SHBGLMNACYP3A4
SCHEMBL4278336 1.00 SRD5A1 (0.66) SRD5A1SRD5A2SHBGLMNACYP3A4
SCHEMBL8006812 0.86 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8006815 0.86 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8016888 0.86 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8851927 0.86 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8851925 0.86 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7616829 0.86 SRD5A1 (0.53) SRD5A1SRD5A2SHBGLMNACYP3A4
SCHEMBL7616838 0.86 SRD5A1 (0.53) SRD5A1SRD5A2SHBGLMNACYP3A4
SCHEMBL8851918 0.85 SRD5A1 (0.59) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 — — EP claimed
US-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-05-19 — — US claimed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 — — EP claimed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 — — WO claimed
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 — — US disclosed
US-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-05-19 — — 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-20050107416-A1 17-hydroxy 4-aza androstan -3-ones as androgen receptor modulators SHBG, CYP19A1, NR5A1 SRD5A1 5/4885SRD5A2 11/4885SHBG 1/4885

“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.