SCHEMBL3214128

SCHEMBL3214128

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COS(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.78
▸ HIF1A Q16665 3/20 0.78
▸ NR3C1 P04150 13/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ AR P10275 2/20 0.76
▸ ABCB11 O95342 1/20 0.76
▸ TNF P01375 1/20 0.76
▸ IL6 P05231 1/20 0.76
▸ SERPINA6 P08185 1/20 0.76
▸ NR3C2 P08235 1/20 0.76
▸ GLUL P15104 1/20 0.76
▸ ADAM17 P78536 1/20 0.76
▸ GPBAR1 Q8TDU6 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ LMNA P02545 1/20 0.70
▸ KMT2A Q03164 1/20 0.59
▸ F2 P00734 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
SCHEMBL8020744 1.00 PGR (0.78) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL8020748 1.00 PGR (0.78) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL5524342 0.93 PGR (0.78) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL13596192 0.89 PGR (0.83) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL13368125 0.89 PGR (0.83) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL9069792 0.89 HIF1A (0.71) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL15662128 0.88 PGR (0.78) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL23633793 0.88 PGR (0.81) PGRHIF1ANR3C1HSD17B10CYP3A4
Prednisolone Acetate SCHEMBL10118889 0.88 HIF1A (1.00) PGRHIF1ANR3C1HSD17B10CYP3A4
Prednisolone Acetate SCHEMBL13044467 0.88 HIF1A (1.00) PGRHIF1ANR3C1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056488-A1 CORTICOSTEROID CONJUGATES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2010-03-04 — — US disclosed
EP-1850855-A2 COMPOUNDS AND USES THEREOF Combinatorx, Incorporated (US) 2007-11-07 — — EP disclosed
US-20060281722-A1 Compounds and uses thereof COMBINATORX, INC. 2006-12-14 — — US disclosed
EP-1562627-A4 CORTICOSTEROID CONJUGATES AND USES THEREOF MCLEAN HOSPITAL CORP (US) 2006-11-02 — — EP disclosed
WO-2006088786-A2 COMPOUNDS AND USES THEREOF COMBINATORX, INCORPORATED (US) 2006-08-24 — — WO disclosed
EP-1562627-A2 CORTICOSTEROID CONJUGATES AND USES THEREOF The McLean Hospital Corporation (US) 2005-08-17 — — EP disclosed
US-20040157810-A1 Corticosteroid conjugates and uses thereof MCLEAN HOSPITAL CORPORATION, THE 2004-08-12 — — US disclosed
WO-2004017904-A2 CORTICOSTEROID CONJUGATES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2004-03-04 — — WO disclosed
US-4404141-A Δ9(11) - And Δ16 -21-chloro-20-keto steroids of the pregnane and D-homopregnane series, their preparation and use as intermediates for the synthesis of highly effective corticoids SCHERING AKTIENGESELLSCHAFT (DE) 1983-09-13 — — US disclosed
EP-0014005-B1 NOVEL ALKYLATED PREGNANES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AKZO N.V. (NL) 1983-08-03 — — EP disclosed
EP-0014005-A1 Novel alkylated pregnanes, processes for their preparation and pharmaceutical compositions containing same AKZO N.V. (NL) 1980-08-06 — — EP 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 (3 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-20040157810-A1 Corticosteroid conjugates and uses thereof NR3C1, NR3C2, C3AR1 PGR 515/4885HIF1A 4459/4885NR3C1 1/4885
US-20060281722-A1 Compounds and uses thereof BDNF, TPH1, TPH2 PGR 1134/4885HIF1A 1866/4885NR3C1 83/4885
US-20100056488-A1 CORTICOSTEROID CONJUGATES AND USES THEREOF NR3C1, NR3C2, C3AR1 PGR 515/4885HIF1A 4459/4885NR3C1 1/4885

“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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