SCHEMBL4213643

SCHEMBL4213643

CCC(=O)O[C@]1(C(=O)S)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.82
▸ CYP3A4 P08684 4/20 0.82
▸ PGR P06401 4/20 0.82
▸ USP2 O75604 4/20 0.82
▸ LMNA P02545 2/20 0.82
▸ NR1I2 O75469 2/20 0.82
▸ MAPT P10636 2/20 0.82
▸ MLNR O43193 1/20 0.82
▸ ABCB11 O95342 1/20 0.82
▸ CYP3A5 P20815 1/20 0.82
▸ PPARG P37231 1/20 0.82
▸ SMN1; SMN2 Q16637 1/20 0.82
▸ NPSR1 Q6W5P4 1/20 0.82
▸ CYP2D6 P10635 1/20 0.82
▸ CYP2C9 P11712 1/20 0.82
▸ ADORA3 P0DMS8 1/20 0.81
▸ DRD2 P14416 1/20 0.81
▸ OPRD1 P41143 1/20 0.81
▸ MEN1 O00255 1/20 0.72
▸ KMT2A Q03164 1/20 0.72

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
SCHEMBL4210412 1.00 NR3C1 (0.82) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL11229005 0.94 NR3C1 (0.78) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL11842222 0.92 NR3C1 (0.83) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL10873405 0.92 NR3C1 (0.83) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL11845108 0.92 NR3C1 (0.83) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL11842212 0.92 NR3C1 (0.83) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL9835214 0.92 NR3C1 (0.83) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL8988215 0.92 NR3C1 (0.85) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL9653395 0.92 NR3C1 (0.85) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL8988209 0.92 NR3C1 (0.85) NR3C1CYP3A4PGRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 — — US disclosed
EP-2004667-B1 NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCED RES CO LTD (IN) 2013-09-04 — — EP disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 — — US disclosed
US-6197761-B1 ANTIINFLAMMATORY, ANTALLERGEN AGENTS GLAXO WELLCOME INC. 2001-03-06 — — US disclosed
EP-0876392-B1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LTD (GB) 2000-07-05 — — EP disclosed
EP-0876392-A1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-11-11 — — EP disclosed
WO-1997024365-A1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-07-10 — — WO disclosed
US-4650610-A Androstane carbothioic acids GLAXO GROUP LIMITED (GB) 1987-03-17 — — US disclosed
US-4578221-A Androstane carbothioic acids GLAXO GROUP LIMITED (GB) 1986-03-25 — — US disclosed
US-4335121-A TOPICAL ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1982-06-15 — — 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-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 NR3C1 37/4885CYP3A4 127/4885PGR 146/4885

“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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