SCHEMBL4943500

SCHEMBL4943500

CC(C)(C)OC(=O)N[C@H](CCOS(C)(=O)=O)COS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
ATM Q13315 1/20 0.36
CTSK P43235 9/20 0.35
CYP2D6 P10635 1/20 0.35
CTSS P25774 4/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
SYK P43405 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL6333451 1.00 CA1 (0.39) CA1CA2CA7ATMCTSK
SCHEMBL4945179 1.00 CA1 (0.39) CA1CA2CA7ATMCTSK
SCHEMBL29695615 0.92 CA1 (0.41) CA1CA2CA7ATMCTSK
SCHEMBL6333387 0.92 KDM4E (0.38) CA1CA2CA7ATMCTSK
SCHEMBL6333389 0.92 KDM4E (0.38) CA1CA2CA7ATMCTSK
SCHEMBL6333383 0.92 KDM4E (0.38) CA1CA2CA7ATMCTSK
SCHEMBL2013068 0.89 CA1 (0.44) CA1CA2CA7ATMCTSK
SCHEMBL15178984 0.88 SYK (0.41) CA1CA2CA7ATMCTSK
SCHEMBL18074469 0.88 SYK (0.41) CA1CA2CA7ATMCTSK
SCHEMBL15304891 0.87 CA2 (0.34) CA1CA2CA7ATMCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
EP-1199306-B1 BIARYLUREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2005-12-07 EP disclosed
US-6958333-B1 Biarylurea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-10-25 US disclosed
EP-1557168-A2 Biarylurea Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-27 EP disclosed
US-6919457-B2 3-(imidazolyl)-2-aminopropanoic acids PFIZER, INC. (US) 2005-07-19 US disclosed
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids PFIZER INC 2004-09-30 US disclosed
US-6759426-B2 RESPIRATORY SYSTREM DISORDERS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISORDERS PFIZER INC 2004-07-06 US disclosed
WO-2003061653-A9 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LTD (GB) 2003-12-24 WO disclosed
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids PFIZER INC. 2003-10-09 US disclosed
WO-2003061653-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LIMITED (GB) 2003-07-31 WO disclosed
EP-1199306-A1 BIARYLUREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-24 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 (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-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI CA1 3429/4885CA2 2287/4885CA7 1498/4885
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids FGB, F2, F11 CA1 3358/4885CA2 2606/4885CA7 2151/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 CA1 3358/4885CA2 2606/4885CA7 2151/4885

“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.