Sugi Predict

Sugi Predict / Compounds / SCHEMBL1473608

SCHEMBL1473608

SCHEMBL1473608

COc1cc(NC(=O)CC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 14/20 0.90
▸ IMPDH1 P20839 5/20 0.90
▸ AAK1 Q2M2I8 5/20 0.56
▸ ROCK2 O75116 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL1473611 1.00 IMPDH2 (0.90) IMPDH2IMPDH1AAK1ROCK2ROCK1
Merimepodib SCHEMBL29376593 0.95 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
Merimepodib SCHEMBL29591763 0.95 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
Merimepodib SCHEMBL329923 0.95 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1472876 0.95 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1472878 0.95 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
Merimepodib SCHEMBL329922 0.95 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL12368229 0.93 IMPDH2 (0.84) IMPDH2IMPDH1AAK1ROCK2ROCK1
SCHEMBL12938851 0.92 IMPDH2 (0.87) IMPDH2IMPDH1AAK1
SCHEMBL12368113 0.91 IMPDH2 (0.85) 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 23 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-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-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 — — US disclosed
EP-1765336-A2 ANGIOGENESIS INHIBITORS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-03-28 — — EP 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-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-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

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-20060122245-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 1956/4885
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-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.