SCHEMBL4450350

SCHEMBL4450350

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC(OC(=O)CCCBr)[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 12/20 0.61
▸ NR3C2 P08235 5/20 0.61
▸ HSD17B10 Q99714 4/20 0.61
▸ NR3C1 P04150 4/20 0.61
▸ PGR P06401 4/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ SERPINA6 P08185 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ CYP3A4 P08684 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MAPT P10636 2/20 0.61
▸ NFKB1 P19838 2/20 0.61
▸ SHBG P04278 1/20 0.61
▸ AR P10275 2/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ TNF P01375 1/20 0.56
▸ IL6 P05231 1/20 0.56
▸ GLUL P15104 1/20 0.56
▸ ADAM17 P78536 1/20 0.56
▸ GPBAR1 Q8TDU6 1/20 0.56

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
SCHEMBL1535104 0.97 HIF1A (0.63) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL141360 0.95 HIF1A (0.61) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL6001323 0.95 HIF1A (0.65) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL249836 0.94 HIF1A (0.64) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL14931695 0.94 HIF1A (0.64) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL5084683 0.94 HIF1A (0.62) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL27531136 0.94 HIF1A (0.60) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL7142715 0.93 HIF1A (0.63) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL141852 0.93 HIF1A (0.63) HIF1ANR3C2HSD17B10NR3C1PGR
SCHEMBL3488313 0.93 HIF1A (0.63) HIF1ANR3C2HSD17B10NR3C1PGR

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 20 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-20060160780-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2006-07-20 — — US disclosed
US-20060160781-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
CN-1142939-C Nitrate esters of corticoid compounds and pharmaceutical applications thereof ƿ�ӻ��� 2004-03-24 — — CN 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
CN-1253563-A Nitrate esters of corticoid compounds and their pharmaceutical use NICOX SA (FR) 2000-05-17 — — CN disclosed
EP-0929565-A2 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX S.A. (FR) 1999-07-21 — — EP disclosed
WO-1998015568-A2 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX S.A. (FR) 1998-04-16 — — WO 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 2540/4885NR3C2 1/4885HSD17B10 294/4885
US-20080234242-A1 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885NR3C2 1/4885HSD17B10 294/4885
US-20060154905-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885NR3C2 1/4885HSD17B10 294/4885
US-20050004089-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885NR3C2 1/4885HSD17B10 294/4885
US-20060270644-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885NR3C2 1/4885HSD17B10 294/4885
US-20060160780-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885NR3C2 1/4885HSD17B10 294/4885
US-20060160781-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NR3C2, CYP11B2, NR3C1 HIF1A 2540/4885NR3C2 1/4885HSD17B10 294/4885

“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