SCHEMBL13653738

SCHEMBL13653738

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

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 14/20 0.77
▸ CYP3A4 P08684 4/20 0.66
▸ PGR P06401 3/20 0.66
▸ AR P10275 3/20 0.66
▸ HIF1A Q16665 2/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ NR1I2 O75469 1/20 0.60
▸ NR3C2 P08235 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ MEN1 O00255 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ KMT2A Q03164 1/20 0.57

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
SCHEMBL19201573 0.90 NR3C1 (0.91) NR3C1CYP3A4PGRARHIF1A
SCHEMBL13653739 0.87 PGR (0.65) NR3C1CYP3A4PGRARHIF1A
SCHEMBL13985478 0.87 NR3C1 (0.87) NR3C1CYP3A4PGRARHIF1A
SCHEMBL19201611 0.87 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A
SCHEMBL19201591 0.86 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A
SCHEMBL14045120 0.86 NR3C1 (0.59) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL28935320 0.86 NR3C1 (0.97) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL2231799 0.86 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL14135286 0.86 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A
Fluticasone SCHEMBL4069 0.86 NR3C1 (1.00) NR3C1CYP3A4PGRARHIF1A

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 7 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

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 NR3C1 1066/4885CYP3A4 3919/4885PGR 3296/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES NR3C1 310/4885CYP3A4 1894/4885PGR 1197/4885

“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.

Send feedback