SCHEMBL242314

SCHEMBL242314

Cc1ncsc1C(=O)O[C@]1(C(=O)SCF)[C@H](CF)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 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.49
▸ NR3C1 P04150 9/20 0.49
▸ PGR P06401 6/20 0.49
▸ HIF1A Q16665 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ NFKB1 P19838 3/20 0.49
▸ PMP22 Q01453 2/20 0.49
▸ CYP2J2 P51589 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NR1I2 O75469 3/20 0.49
▸ USP2 O75604 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ MLNR O43193 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ CYP3A5 P20815 1/20 0.49

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
SCHEMBL6354251 0.84 NR3C1 (0.67) CYP3A4NR3C1PGRHIF1ALMNA
SCHEMBL244665 0.83 NR3C1 (0.66) CYP3A4NR3C1PGRHIF1ALMNA
SCHEMBL5700595 0.81 NR3C1 (0.73) CYP3A4NR3C1PGRHIF1ANR1I2
SCHEMBL409204 0.81 NR3C1 (0.73) CYP3A4NR3C1PGRHIF1ANR1I2
SCHEMBL4156578 0.81 NR3C1 (0.73) CYP3A4NR3C1PGRHIF1ANR1I2
SCHEMBL4826587 0.81 NR3C1 (0.73) CYP3A4NR3C1PGRHIF1ANR1I2
SCHEMBL4728177 0.81 NR3C1 (0.73) CYP3A4NR3C1PGRHIF1ANR1I2
SCHEMBL5495390 0.81 NR3C1 (0.73) CYP3A4NR3C1PGRHIF1ANR1I2
SCHEMBL111403 0.81 NR3C1 (0.73) CYP3A4NR3C1PGRHIF1ANR1I2
SCHEMBL4654367 0.81 NR3C1 (0.73) CYP3A4NR3C1PGRHIF1ANR1I2

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-20120004281-A1 RNA Interference Mediated Inhibition of the Nerve Growth Factor Beta Chain (NGFB) Gene Expression Using Short Interfering Nucleic Acid (siNA) MERCK SHARP & DOHME CORP (US) 2012-01-05 — — 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-20120004281-A1 RNA Interference Mediated Inhibition of the Nerve Growth Factor Beta Chain (NGFB) Gene Expression Using Short Interfering Nucleic Acid (siNA) NGF, NGFR, BDNF CYP3A4 4885/4885NR3C1 865/4885PGR 3717/4885

“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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