SCHEMBL3405200

SCHEMBL3405200

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.62
▸ CYP3A4 P08684 6/20 0.51
▸ HIF1A Q16665 6/20 0.51
▸ AR P10275 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ PGR P06401 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ CHUK O15111 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ NR3C2 P08235 1/20 0.51
▸ PLA2G2A P14555 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51

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
SCHEMBL3405195 1.00 NR3C1 (0.62) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL13102597 0.92 NR3C1 (0.52) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL3403608 0.84 NR3C1 (0.57) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL3403600 0.84 NR3C1 (0.57) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL3403162 0.82 NR3C1 (0.67) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL13102567 0.79 NR3C1 (0.56) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL20169813 0.79 NR3C1 (0.45) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL16614002 0.79 NR3C1 (0.45) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL16613911 0.79 NR3C1 (0.45) NR3C1CYP3A4HIF1AARHSD17B10
SCHEMBL11347083 0.78 NR3C1 (0.72) NR3C1CYP3A4HIF1AARHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414377-B1 NOVEL DERIVATIVES OF STEROIDAL [3,2-C] PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2016-01-06 — — EP disclosed
US-8338587-B2 Compounds ASTRAZENECA AB 2012-12-25 — — US disclosed
US-20100256103-A1 NOVEL COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — 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-20100256103-A1 NOVEL COMPOUNDS SLC10A1, ABCB1, UGT1A1 NR3C1 858/4885CYP3A4 87/4885HIF1A 1103/4885

“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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