SCHEMBL13653820

SCHEMBL13653820

CCOP(=O)(COCC(=O)[C@@]1(OC(=O)CC)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.56
▸ CYP3A4 P08684 5/20 0.56
▸ AR P10275 3/20 0.56
▸ F2 P00734 1/20 0.56
▸ HIF1A Q16665 7/20 0.56
▸ NR3C1 P04150 6/20 0.56
▸ ABCB11 O95342 3/20 0.56
▸ NR1I2 O75469 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ LMNA P02545 4/20 0.54
▸ USP2 O75604 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CHRM1 P11229 1/20 0.46
▸ NR3C2 P08235 1/20 0.44
▸ ABCC3 O15438 1/20 0.43
▸ CNR1 P21554 1/20 0.40

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
SCHEMBL13985488 0.92 PGR (0.61) PGRCYP3A4ARF2HIF1A
SCHEMBL13653815 0.89 PGR (0.44) PGRCYP3A4ARF2HIF1A
SCHEMBL13653812 0.88 PGR (0.62) PGRCYP3A4ARF2HIF1A
SCHEMBL10910516 0.88 PGR (0.67) PGRCYP3A4ARF2HIF1A
SCHEMBL10910515 0.88 PGR (0.67) PGRCYP3A4ARF2HIF1A
SCHEMBL13524488 0.88 PGR (0.66) PGRCYP3A4ARF2HIF1A
SCHEMBL10903845 0.88 PGR (0.58) PGRCYP3A4ARF2HIF1A
SCHEMBL13653768 0.88 PGR (0.73) PGRCYP3A4ARF2HIF1A
SCHEMBL13653809 0.87 PGR (0.55) PGRCYP3A4ARF2HIF1A
Methylprednisolone Aceponate SCHEMBL8612416 0.87 PGR (0.74) PGRCYP3A4ARF2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — 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 (2 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG PGR 3296/4885CYP3A4 3919/4885AR 4355/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PGR 1197/4885CYP3A4 1894/4885AR 3594/4885

“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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