SCHEMBL3939748

SCHEMBL3939748

COc1cc(NC(=O)C(=O)O)ccc1-c1cnco1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 0.83
IMPDH1 P20839 3/20 0.76
AAK1 Q2M2I8 7/20 0.70

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
SCHEMBL1473366 0.91 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL6495167 0.90 IMPDH2 (0.79) IMPDH2IMPDH1AAK1
SCHEMBL14518602 0.90 IMPDH2 (0.83) IMPDH2IMPDH1AAK1
SCHEMBL1472764 0.88 IMPDH2 (0.83) IMPDH2IMPDH1AAK1
SCHEMBL14518615 0.88 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL3995894 0.88 IMPDH2 (0.82) IMPDH2IMPDH1AAK1
SCHEMBL7549462 0.88 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL15741615 0.87 IMPDH2 (0.78) IMPDH2IMPDH1AAK1
SCHEMBL5531405 0.86 AAK1 (0.75) IMPDH2IMPDH1AAK1
SCHEMBL1474014 0.86 IMPDH2 (1.00) IMPDH2IMPDH1AAK1

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
WO-2009018344-A1 ANTICANCER AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-02-05 WO disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1127054-A4 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2006-11-02 EP disclosed
US-7060720-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB CO. (US) 2006-06-13 US disclosed
US-20060122245-A1 Novel inhibitors of IMPDH enzyme GU HENRY H 2006-06-08 US disclosed
US-7053111-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB CO. (US) 2006-05-30 US disclosed
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed
US-20040102497-A1 Novel inhibitors of IMPDH enzyme GU HENRY H (US) 2004-05-27 US disclosed
US-20040082562-A1 Novel inhibitors of IMPDH enzyme GU HENRY H (US) 2004-04-29 US disclosed
US-6624184-B1 Identification of the inhibitors of IMPDH (inosine-5'-monophosphate dehydrogenase). The compounds and pharmaceutical compositions disclosed herein are useful in treating or preventing IMPDH associated disorders, and BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020052513-A1 Oxamide IMPDH inhibitors HOFFMANN-LA ROCHE INC. 2002-05-02 US disclosed
EP-1127883-A2 Oxamides as IMPDH inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP disclosed
EP-1127054-A1 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP disclosed
WO-2000026197-A9 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2000-10-26 WO disclosed
WO-2000026197-A1 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 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 (4 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-20060122245-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 1956/4885
US-20040082562-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 2009/4885
US-20020052513-A1 Oxamide IMPDH inhibitors IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 2882/4885
US-20040102497-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 2009/4885

“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.