SCHEMBL9504443

SCHEMBL9504443

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.59
PGR P06401 7/20 0.59
HIF1A Q16665 6/20 0.59
CYP3A4 P08684 5/20 0.59
HSD17B10 Q99714 3/20 0.59
ABCB11 O95342 3/20 0.59
NR3C2 P08235 2/20 0.59
AR P10275 2/20 0.59
TNF P01375 1/20 0.59
IL6 P05231 1/20 0.59
SERPINA6 P08185 1/20 0.59
GLUL P15104 1/20 0.59
ADAM17 P78536 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 3/20 0.54
NR1I2 O75469 2/20 0.54
CNR1 P21554 1/20 0.54
ABCC3 O15438 2/20 0.50
CYP2C9 P11712 2/20 0.50

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
SCHEMBL24862085 1.00 NR3C1 (0.59) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL18971855 1.00 NR3C1 (0.59) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL19718628 1.00 NR3C1 (0.59) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL9504455 1.00 NR3C1 (0.59) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL19718634 0.91 NR3C1 (0.54) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL8085488 0.89 NR3C1 (0.55) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL8085489 0.89 NR3C1 (0.55) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL9488529 0.88 PGR (0.62) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL5448816 0.88 PGR (0.62) NR3C1PGRHIF1ACYP3A4HSD17B10
SCHEMBL30375284 0.88 PGR (0.62) NR3C1PGRHIF1ACYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475676-B1 Pregnane derivatives condensed in the 16,17 position with an N-substituted isoxazolidine ring as anti-inflammatory agents CHIESI FARM SPA (IT) 2020-05-27 EP disclosed
US-10280193-B2 Isoxazolidine derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2019-05-07 US disclosed
US-20180066010-A1 ISOXAZOLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2018-03-08 US disclosed
US-20180066010-A1 ISOXAZOLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2018-03-08 US disclosed
US-9845337-B2 Isoxazolidine derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-19 US disclosed
US-9845337-B2 Isoxazolidine derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-19 US disclosed
EP-2716648-B1 ISOXAZOLIDINE DERIVATIVES CHIESI FARM SPA (IT) 2017-06-14 EP disclosed
EP-2993178-A1 GLUCOCORTICOID CONDENSED IN POSITION 16,17 WITH AN ISOXAZOLIDINE GROUP CHIESI FARMACEUTICI S.p.A. (IT) 2016-03-09 EP disclosed
US-20150057257-A1 ISOXAZOLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-02-26 US disclosed
US-20150057257-A1 ISOXAZOLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-02-26 US disclosed
US-8637662-B2 Isoxazolidine derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-28 US disclosed
US-8637662-B2 Isoxazolidine derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-28 US disclosed
US-20120234316-A1 ISOXAZOLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2012-09-20 US disclosed
US-20110065678-A1 ISOXAZOLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2011-03-17 US disclosed
US-20110065678-A1 ISOXAZOLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2011-03-17 US disclosed
EP-0256095-B1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1993-05-19 EP disclosed
US-4762919-A STEROIDS FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1988-08-09 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 (5 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-20150057257-A1 ISOXAZOLIDINE DERIVATIVES IL5, TSLP, SERPINA6 NR3C1 19/4885PGR 2154/4885HIF1A 646/4885
US-20120234316-A1 ISOXAZOLIDINE DERIVATIVES IL5, TSLP, SERPINA6 NR3C1 19/4885PGR 2154/4885HIF1A 646/4885
US-20110065678-A1 ISOXAZOLIDINE DERIVATIVES NR3C2, NR3C1, MC2R NR3C1 2/4885PGR 1856/4885HIF1A 2445/4885
US-20180066010-A1 ISOXAZOLIDINE DERIVATIVES IL5, TSLP, SERPINA6 NR3C1 19/4885PGR 2154/4885HIF1A 646/4885
US-10280193-B2 Isoxazolidine derivatives IL5, TSLP, SERPINA6 NR3C1 19/4885PGR 2154/4885HIF1A 646/4885

“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.