SCHEMBL993338

SCHEMBL993338

[CH2]S(=O)(=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 4/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
FKBP1A P62942 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2101942 1.00 CA1 (0.55) CA1CA2POLBTSHRKMT2A
SCHEMBL994469 0.97
SCHEMBL5280013 0.73 POLB (0.93) CA1CA2POLBTSHRKMT2A
SCHEMBL29905605 0.73 POLB (0.93) CA1CA2POLBTSHRKMT2A
SCHEMBL417152 0.71 CA1 (0.58) CA1CA2POLBTSHRKMT2A
SCHEMBL2724764 0.71 CA1 (1.00) CA1CA2POLBTSHRKMT2A
SCHEMBL9539931 0.71 CA1 (0.58) CA1CA2POLBTSHRKMT2A
SCHEMBL392889 0.71 CA1 (1.00) CA1CA2POLBTSHRKMT2A
SCHEMBL21356989 0.71 CA1 (1.00) CA1CA2POLBTSHRKMT2A
SCHEMBL9540497 0.71 CA1 (0.58) CA1CA2POLBTSHRKMT2A

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US claimed
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 EP claimed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP claimed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 WO claimed
US-8450373-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-05-28 US disclosed
EP-1865940-B1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2013-02-13 EP disclosed
EP-2511257-A2 Alpha ketoamide compounds as cysteine protease inhibitors ViroBay, Inc. (US) 2012-10-17 EP disclosed
EP-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2012-07-26 US disclosed
US-6689794-B2 SUPPRESSING MATRIX METALLOPROTEINASE AND/OR AGGRECANASE ACTIVITY PHARMACIA CORPORATION 2004-02-10 US disclosed
US-20040024024-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors PHARMACIA CORPORATION 2004-02-05 US disclosed
EP-1385836-A2 AROMATIC SULFONE HYDROXAMATES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2004-02-04 EP disclosed
US-20040010019-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors PHARMACIA CORPORATION 2004-01-15 US disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 WO disclosed
WO-2002092588-A2 AROMATIC SULFONE HYDROXAMATES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2002-11-21 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 (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-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB CA1 298/4885CA2 319/4885POLB 2175/4885
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 CA1 2016/4885CA2 1112/4885POLB 235/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C CA1 2364/4885CA2 2271/4885POLB 460/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 CA1 1313/4885CA2 1342/4885POLB 154/4885
US-20040010019-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors MMP1, MMP3, MMP7 CA1 67/4885CA2 78/4885POLB 3038/4885
US-20040024024-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors MMP1, MMP3, MMP7 CA1 67/4885CA2 78/4885POLB 3038/4885

“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.