SCHEMBL4450339

SCHEMBL4450339

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCCCl

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 12/20 0.84
▸ SMN1; SMN2 Q16637 3/20 0.84
▸ MAPT P10636 2/20 0.84
▸ POLB P06746 1/20 0.84
▸ GAA P10253 1/20 0.84
▸ NFKB1 P19838 2/20 0.80
▸ PMP22 Q01453 1/20 0.80
▸ TSHR P16473 1/20 0.80
▸ PGR P06401 3/20 0.77
▸ LMNA P02545 3/20 0.77
▸ SERPINA6 P08185 2/20 0.77
▸ AR P10275 2/20 0.77
▸ CHRM1 P11229 2/20 0.77
▸ CYP3A4 P08684 2/20 0.75
▸ NR3C1 P04150 4/20 0.70
▸ NR3C2 P08235 3/20 0.70
▸ CYP2C19 P33261 2/20 0.70
▸ HSD17B10 Q99714 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ SHBG P04278 1/20 0.70

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
SCHEMBL13669677 1.00 HIF1A (0.84) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL2679288 0.94 HIF1A (0.95) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL4450347 0.94 HIF1A (0.86) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL13669679 0.94 HIF1A (0.86) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL80604 0.94 HIF1A (0.95) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL16018308 0.93 HIF1A (0.93) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL31249873 0.92 HIF1A (0.84) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL5084679 0.92 HIF1A (0.98) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL12089393 0.92 HIF1A (0.82) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL7137200 0.91 HIF1A (1.00) HIF1ASMN1; SMN2MAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605151-B2 angiogenesis inhibitor; antiinflammatory agents; immunosuppressants; steroids conjugated compound NICOX S.A. (FR) 2009-10-20 — — US disclosed
US-20080234242-A1 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX S.A. (FR) 2008-09-25 — — US disclosed
US-7368442-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2008-05-06 — — US disclosed
US-20070161612-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. 2007-07-12 — — US disclosed
US-7205288-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2007-04-17 — — US disclosed
US-7196075-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2007-03-27 — — US disclosed
US-7160871-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2007-01-09 — — US disclosed
US-7157450-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2007-01-02 — — US disclosed
US-20060270644-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. 2006-11-30 — — US disclosed
US-20060160781-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2006-07-20 — — US disclosed
US-20060160780-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2006-07-20 — — US disclosed
US-20060154905-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2006-07-13 — — US disclosed
US-7056905-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2006-06-06 — — US disclosed
US-20050004089-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. 2005-01-06 — — US disclosed
US-6610676-B1 Treating arthritis NICOX S.A. (FR) 2003-08-26 — — US disclosed
EP-0929565-B1 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX SA (FR) 2002-05-29 — — 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 (7 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-20070161612-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885SMN1; SMN2 4089/4885MAPT 3509/4885
US-20080234242-A1 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885SMN1; SMN2 4089/4885MAPT 3509/4885
US-20060154905-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885SMN1; SMN2 4089/4885MAPT 3509/4885
US-20050004089-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885SMN1; SMN2 4089/4885MAPT 3509/4885
US-20060270644-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885SMN1; SMN2 4089/4885MAPT 3509/4885
US-20060160780-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885SMN1; SMN2 4089/4885MAPT 3509/4885
US-20060160781-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885SMN1; SMN2 4089/4885MAPT 3509/4885

“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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