SCHEMBL4218017

SCHEMBL4218017

COc1ccc(C(=O)CSC(=O)[C@@]2(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)C4(F)[C@@H](O)C[C@@]32C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 12/20 0.63
▸ PGR P06401 6/20 0.63
▸ AR P10275 2/20 0.63
▸ PTGS1 P23219 2/20 0.63
▸ NR3C2 P08235 1/20 0.63
▸ CNR1 P21554 1/20 0.63
▸ CYP3A4 P08684 6/20 0.58
▸ LMNA P02545 3/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ ABCB11 O95342 2/20 0.58
▸ ADORA3 P0DMS8 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ SLCO1B3 Q9NPD5 1/20 0.58
▸ SLCO1B1 Q9Y6L6 1/20 0.58
▸ USP2 O75604 3/20 0.52
▸ NR1I2 O75469 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MLNR O43193 1/20 0.52

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
SCHEMBL4218012 1.00 NR3C1 (0.63) NR3C1PGRARPTGS1NR3C2
SCHEMBL4218105 0.94 NR3C1 (0.63) NR3C1PGRARPTGS1NR3C2
SCHEMBL4222810 0.93 NR3C1 (0.62) NR3C1PGRARPTGS1NR3C2
SCHEMBL15225955 0.92 NR3C1 (0.61) NR3C1PGRARPTGS1NR3C2
SCHEMBL15225449 0.89 NR3C1 (0.80) NR3C1PGRARPTGS1NR3C2
SCHEMBL15225810 0.89 NR3C1 (0.67) NR3C1PGRARNR3C2CYP3A4
SCHEMBL3999196 0.88 NR3C1 (0.78) NR3C1PGRARPTGS1NR3C2
SCHEMBL4008052 0.88 NR3C1 (0.78) NR3C1PGRARPTGS1NR3C2
SCHEMBL27255186 0.88 NR3C1 (0.78) NR3C1PGRARPTGS1NR3C2
SCHEMBL4218885 0.87 NR3C1 (0.60) NR3C1PGRARPTGS1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 — — US claimed

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 37/4885PGR 146/4885AR 22/4885

“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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