Sugi Predict

Sugi Predict / Compounds / SCHEMBL3584389

SCHEMBL3584389

SCHEMBL3584389

COc1cc(N)ccc1S(C)(=N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.42
▸ RAPGEF3 O95398 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ IMPDH1 P20839 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL1100517 0.85 L3MBTL1 (0.58) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL3467457 0.85 L3MBTL1 (0.58) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL2031074 0.81 PKM (0.59) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL31618987 0.80 ALDH1A1 (0.47) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL154427 0.80 ALDH1A1 (0.51) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL31618988 0.80 ALDH1A1 (0.47) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL18184456 0.79 GAA (0.50) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL31050364 0.79 SMN1; SMN2 (0.46) ALDH1A1GAATSHRHTTTRPV4
SCHEMBL10156476 0.77 L3MBTL1 (0.54) ALDH1A1MAPTGAAL3MBTL1TSHR
SCHEMBL4639549 0.77 TSHR (0.51) ALDH1A1MAPTGAAL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 — — US disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 — — US disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 — — US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 — — US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 — — US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 — — US disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 — — EP disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 — — EP disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 — — US disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 — — US disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 — — US disclosed
EP-1673352-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-28 — — EP disclosed
US-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-08-11 — — US disclosed
WO-2005037800-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 — — 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 (2 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-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents CDK2, CDK1, FLT1 ALDH1A1 2681/4885MAPT 3750/4885GAA 2582/4885
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS CDK2, CDK1, FLT1 ALDH1A1 2681/4885MAPT 3750/4885GAA 2582/4885

“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.