SCHEMBL1152764

SCHEMBL1152764

CCc1c(C)c2c(c(O)c1C/C=C1\CCCC1CC(=O)O)C(=O)OC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 15/20 0.56
IMPDH1 P20839 11/20 0.49
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
UGT2B7 P16662 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1152769 1.00 IMPDH2 (0.56) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL7881557 1.00 IMPDH2 (0.56) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL8951739 1.00 IMPDH2 (0.56) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL8951531 0.90 IMPDH2 (0.46) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL1153121 0.90 IMPDH2 (0.56) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL1153118 0.90 IMPDH2 (0.56) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL8951542 0.90 IMPDH2 (0.46) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL1475854 0.89 IMPDH2 (0.58) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL1475856 0.89 IMPDH2 (0.58) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL7877375 0.89 IMPDH1 (0.60) IMPDH2IMPDH1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745075-B1 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX LLC (US) 2001-12-05 EP claimed
WO-1995022536-A1 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO claimed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20060106097-A1 Metabolism-modulating agents and uses therefor UNIVERSITY OF QUEENSLAND (AU) 2006-05-18 US disclosed
EP-0745075-B1 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX LLC (US) 2001-12-05 EP disclosed
US-5554612-A IMMUNOSUPPRESSANTS, VIRICIDES, ANTITUMOR AND ANTIINFLAMMATORY AGENTS SYNTEX INC (US) 1996-09-10 US disclosed
US-5536747-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-07-16 US disclosed
US-5525602-A TREATING INFLAMMATORY DISEASES, PREVENTING ALLOGRAFT REJECTION, AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1996-06-11 US disclosed
WO-1995022536-A1 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
US-5444072-A Useful in treatment of autoimmune disorders, psoriasis, inflammatory diseases, rheumatoid arthritis SYNTEX (U.S.A.) INC. (US) 1995-08-22 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 (3 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS IMPDH2 2041/4885IMPDH1 1995/4885KDM4E 4345/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS IMPDH2 2041/4885IMPDH1 1995/4885KDM4E 4345/4885
US-20060106097-A1 Metabolism-modulating agents and uses therefor IMPDH1, IMPDH2, HADHB IMPDH2 2/4885IMPDH1 1/4885KDM4E 2168/4885

“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.