SCHEMBL143178

SCHEMBL143178

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)C12F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.74
CYP2C19 P33261 4/20 0.73
SHBG P04278 4/20 0.72
ALDH1A1 P00352 2/20 0.64
MAPK1 P28482 1/20 0.64
SERPINA6 P08185 4/20 0.58
HIF1A Q16665 5/20 0.58
PGR P06401 3/20 0.58
HRH1 P35367 1/20 0.58
HSD17B10 Q99714 8/20 0.57
CYP3A4 P08684 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.57
PMP22 Q01453 2/20 0.57
CYP2D6 P10635 1/20 0.57
KCNA1 Q09470 1/20 0.57
SLC47A1 Q96FL8 1/20 0.57
BLM P54132 1/20 0.56
AR P10275 2/20 0.54

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
SCHEMBL4546 1.00 NR3C1 (0.74) NR3C1CYP2C19SHBGALDH1A1MAPK1
SCHEMBL18799367 0.88 CYP2C19 (0.75) NR3C1CYP2C19SHBGALDH1A1MAPK1
SCHEMBL4738 0.88 NR3C1 (0.76) NR3C1CYP2C19SHBGALDH1A1MAPK1
SCHEMBL722408 0.86 SHBG (0.64) NR3C1CYP2C19SHBGALDH1A1MAPK1
SCHEMBL11037287 0.86 SHBG (0.72) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL23975175 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL10598529 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL4323075 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL19327146 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL13026141 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1

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 356 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401798-A1 LIPOXIN A4 ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-12-30 US claimed
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2020-02-04 US claimed
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-03-08 US claimed
US-20170112792-A1 ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2017-04-27 US claimed
WO-2016145186-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2016-09-15 WO claimed
WO-2015143190-A1 ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2015-09-24 WO claimed
US-20140336162-A1 LOCALLY ADMINISTRATED LOW DOSES OF CORTICOSTEROIDS WARSAW ORTHOPEDIC INC (US) 2014-11-13 US claimed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US claimed
US-20120028910-A1 STORAGE-STABLE AQUEOUS OPHTHALMIC FORMULATIONS FOVEA PHARMACEUTICALS (FR) 2012-02-02 US claimed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US claimed
US-6897206-B2 Combinations for the treatment of inflammatory disorders COMBINATORX, INC. (US) 2005-05-24 US claimed
EP-1448205-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2004-08-25 EP claimed
EP-1414466-A1 COMBINATIONS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2004-05-06 EP claimed
US-20040072732-A1 Use of ramoplanin to treat diseases associated with the use of antibiotics NANOSHIFT, LLC 2004-04-15 US claimed
WO-2003103699-A1 USE OF RAMOPLANIN TO TREAT DISEASES ASSOCIATED WITH THE USE OF ANTIBIOTICS VICURON PHARMACEUTICALS INC. (US) 2003-12-18 WO claimed
WO-2003092617-A2 COMBINATIONS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS COMBINATORX, INCORPORATED (US) 2003-11-13 WO claimed
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders ZALICUS INC. 2003-06-26 US claimed
US-20030078246-A1 Combinations for the treatment of inflammatory disorders ZALICUS INC. 2003-04-24 US claimed
WO-2003030823-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2003-04-17 WO claimed
WO-2003006026-A1 COMBINATIONS FOR THE TREATMENT OF INFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2003-01-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20210401798-A1 LIPOXIN A4 ANALOGS AND USES THEREOF LTA4H, ALOX15B, LTB4R NR3C1 736/4885CYP2C19 1673/4885SHBG 2310/4885
US-20030078246-A1 Combinations for the treatment of inflammatory disorders IL6, FKBP1B, NR3C1 NR3C1 3/4885CYP2C19 153/4885SHBG 475/4885
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders IL5, TSLP, TPMT NR3C1 32/4885CYP2C19 1164/4885SHBG 272/4885
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions PIN1, RARB, RARA NR3C1 290/4885CYP2C19 4603/4885SHBG 1303/4885
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS PIN1, RARB, RARA NR3C1 290/4885CYP2C19 4603/4885SHBG 1303/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP NR3C1 413/4885CYP2C19 2049/4885SHBG 1564/4885

“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.