SCHEMBL679271

SCHEMBL679271

COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OC(C)N1CCOCC1)C(=O)OC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
LMNA P02545 2/20 0.73
HPGD P15428 2/20 0.73
ABCC4 O15439 1/20 0.73
NR1I2 O75469 1/20 0.73
ABCB11 O95342 1/20 0.73
SLC6A4 P31645 1/20 0.73
KCNH2 Q12809 1/20 0.73
PDE3A Q14432 1/20 0.73
IMPDH2 P12268 19/20 0.72
IMPDH1 P20839 16/20 0.72
KDM4E B2RXH2 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
UGT2B7 P16662 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HSD17B10 Q99714 1/20 0.68
HDAC3 O15379 2/20 0.65
HDAC4 P56524 2/20 0.65
HDAC1 Q13547 2/20 0.65

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
SCHEMBL679270 1.00 ALDH1A1 (0.73) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL9807943 0.99 ALDH1A1 (0.72) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL9807935 0.99 ALDH1A1 (0.72) ALDH1A1LMNAHPGDABCC4NR1I2
Sulfuric Acid SCHEMBL9807897 0.97 ALDH1A1 (0.69) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9807873 0.91 IMPDH2 (0.69) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9807879 0.91 IMPDH2 (0.69) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL10388809 0.90 IMPDH2 (0.68) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL10388808 0.90 IMPDH2 (0.68) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9815242 0.89 ALDH1A1 (0.62) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9815246 0.89 ALDH1A1 (0.62) ALDH1A1LMNAHPGDABCC4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769149-B1 IMMUNOASSAY FOR MYCOPHENOLIC ACID DADE BEHRING MARBURG GMBH (DE) 2005-11-09 EP claimed
US-6225073-B1 USING MONOCLONAL ANTIBODY THAT CAN DISTINGUISH BETWEEN MYCOPHENOLIC ACID AND ITS ESTERS; FOR MONITORING BIOAVAILABILITY DADE BEHRING MARBURG GMBH (DE) 2001-05-01 US claimed
EP-0769149-A1 IMMUNOASSAY FOR MYCOPHENOLIC ACID BEHRINGWERKE AG (DE) 1997-04-23 EP claimed
WO-1996002004-A1 IMMUNOASSAY FOR MYCOPHENOLIC ACID BEHRINGWERKE AG (DE) 1996-01-25 WO claimed
US-8957071-B2 Treatment of vascular, autoimmune and inflammatory diseases using low dosages of IMPDH inhibitors ASPREVA PHARMACEUTICALS S.A. (CH) 2015-02-17 US disclosed
US-20110306608-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR, AUTOIMMUNE AND INFLAMMATORY DISEASES HAYDEN MICHAEL R (CA) 2011-12-15 US disclosed
US-20110269755-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR, AUTOIMMUNE, AND INFLAMMATORY DISEASES Aspreva International Ltd. (CA) 2011-11-03 US disclosed
US-20090088427-A1 Treatment of Vascular, Autoimmune and Inflammatory Diseases Using Low Dosages of IMPDH Inhibitors GLICKMAN RICHARD 2009-04-02 US disclosed
US-20080280932-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR, AUTOIMMUNE, AND INFLAMMATORY DISEASES HAYDEN MICHAEL R 2008-11-13 US disclosed
EP-1917010-A2 COMPOSITIONS AND METHODS FOR TREATING VASCULAR, AUTOIMMUNE AND INFLAMMATORY DISEASES Aspreva Pharmaceuticals SA (CH) 2008-05-07 EP disclosed
US-20060235009-A1 Treatment of vascular, autoimmune and inflammatory diseases using low dosages of IMPDH inhibitors ASPREVA PHARMACEUTICALS S.A. (CH) 2006-10-19 US disclosed
US-20060235070-A1 Compositions and methods for treating vascular, autoimmune, and inflammatory diseases HAYDEN MICHAEL R 2006-10-19 US disclosed
US-4868153-A IMMUNOSUPPRESSION SYNTEX (U.S.A.) INC. (US) 1989-09-19 US disclosed
US-4861776-A Heterocyclic aminoalkyl esters of mycophenolic acid and derivatives thereof, compositions and use SYNTEX (U.S.A) INC. (US) 1989-08-29 US disclosed
US-4808592-A ANTIBODY INHIBITORS; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-02-28 US disclosed
US-4786637-A IMMUNOSUPPRESSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0281713-A1 Morpholinoethylester of mycophenolic acid and derivatives thereof, their preparation and use in pharmaceutical compositions SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4753935-A ANTIBODY INHIBITORS; ANTITUMOR, ANTIINFLAMMATORY, ANTIVIRAL AND ANTIPSORIASIS AGENTS SYNTEX (U.S.A.) INC. (US) 1988-06-28 US disclosed
US-4748173-A IMMUNOSUPRESSIVE, ANTIINFLAMMATORY, ANTITUMOR, ANTIVIRAL, AND ANTIPSORIASIS AGENTS SYNTEX (U.S.A.) INC. (US) 1988-05-31 US disclosed
US-4727069-A ANTIBODY INHIBITORS, ANTIINFLAMMATORY, ANTITUMOR AGENTS, VIRICIDES, AND ANTIPSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-02-23 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 (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-20080280932-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR, AUTOIMMUNE, AND INFLAMMATORY DISEASES IMPDH1, IMPDH2, HMGCR ALDH1A1 563/4885LMNA 2075/4885HPGD 63/4885
US-20090088427-A1 Treatment of Vascular, Autoimmune and Inflammatory Diseases Using Low Dosages of IMPDH Inhibitors IMPDH1, IMPDH2, PNP ALDH1A1 87/4885LMNA 4403/4885HPGD 118/4885
US-20060235070-A1 Compositions and methods for treating vascular, autoimmune, and inflammatory diseases IMPDH1, IMPDH2, HMGCR ALDH1A1 563/4885LMNA 2075/4885HPGD 63/4885
US-20060235009-A1 Treatment of vascular, autoimmune and inflammatory diseases using low dosages of IMPDH inhibitors IMPDH1, IMPDH2, PNP ALDH1A1 87/4885LMNA 4403/4885HPGD 118/4885
US-20110269755-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR, AUTOIMMUNE, AND INFLAMMATORY DISEASES IMPDH1, IMPDH2, HMGCR ALDH1A1 584/4885LMNA 2223/4885HPGD 58/4885
US-20110306608-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR, AUTOIMMUNE AND INFLAMMATORY DISEASES IMPDH1, IMPDH2, HMGCR ALDH1A1 653/4885LMNA 2127/4885HPGD 84/4885

“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.