SCHEMBL1473815

SCHEMBL1473815

COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 18/20 1.00
IMPDH1 P20839 8/20 0.82
AAK1 Q2M2I8 2/20 0.61

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
SCHEMBL1475591 0.93 IMPDH2 (0.87) IMPDH2IMPDH1AAK1
SCHEMBL1475861 0.92 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL1474014 0.90 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL6490216 0.90 IMPDH2 (0.81) IMPDH2IMPDH1AAK1
SCHEMBL1474340 0.89 IMPDH2 (0.80) IMPDH2IMPDH1AAK1
SCHEMBL6488186 0.87 IMPDH2 (0.81) IMPDH2IMPDH1AAK1
SCHEMBL1474188 0.87 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL1473286 0.87 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1474040 0.86 IMPDH2 (0.83) IMPDH2IMPDH1AAK1
SCHEMBL6495844 0.86 IMPDH2 (0.83) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127054-A4 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2006-11-02 EP claimed
US-20040102497-A1 Novel inhibitors of IMPDH enzyme GU HENRY H (US) 2004-05-27 US claimed
US-20040082562-A1 Novel inhibitors of IMPDH enzyme GU HENRY H (US) 2004-04-29 US claimed
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 claimed
EP-1127054-A1 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP claimed
WO-2000026197-A9 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2000-10-26 WO claimed
WO-2000026197-A1 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 WO claimed
EP-2803357-B1 Angiogenesis inhibitors UNIV JOHNS HOPKINS (US) 2020-11-18 EP disclosed
US-9642865-B2 Angiogenesis inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-09 US disclosed
US-8980930-B2 Angiogenesis inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-17 US disclosed
US-20150056267-A1 ANGIOGENESIS INHIBITORS UNIV JOHNS HOPKINS (US) 2015-02-26 US disclosed
EP-2803357-A2 Angiogenesis inhibitors THE JOHNS-HOPKINS UNIVERSITY (US) 2014-11-19 EP disclosed
US-20130101657-A1 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2013-04-25 US disclosed
US-20060106097-A1 Metabolism-modulating agents and uses therefor UNIVERSITY OF QUEENSLAND (AU) 2006-05-18 US disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 WO disclosed
WO-2006004795-A2 ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-12 WO 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-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

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-20150056267-A1 ANGIOGENESIS INHIBITORS FLT1, VEGFA, FLT4 IMPDH2 2862/4885IMPDH1 2706/4885AAK1 793/4885
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-20130101657-A1 ANGIOGENESIS INHIBITORS FLT1, VEGFA, FLT4 IMPDH2 2862/4885IMPDH1 2706/4885AAK1 793/4885
US-20040102497-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 2009/4885
US-20060106097-A1 Metabolism-modulating agents and uses therefor IMPDH1, IMPDH2, HADHB IMPDH2 2/4885IMPDH1 1/4885AAK1 2181/4885

“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.