SCHEMBL3202305

SCHEMBL3202305

CN([C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CTSK P43235 2/20 0.42
GAA P10253 2/20 0.40
EPHX1 P07099 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DRD2 P14416 3/20 0.38
CCR5 P51681 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
JAK3 P52333 2/20 0.36
EPHX2 P34913 1/20 0.36
TYK2 P29597 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL3202310 1.00 BTK (0.44) BTKKDM1AMAOBCTSKGAA
SCHEMBL5029585 0.84 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL5029583 0.84 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL626874 0.83 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL22200605 0.83 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL4590525 0.83 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL626875 0.83 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL28621935 0.82 BTK (0.53) BTKKDM1AMAOBCTSKGAA
SCHEMBL28073206 0.82 BTK (0.53) BTKKDM1AMAOBCTSKGAA
SCHEMBL10343938 0.80 BTK (0.61) BTKKDM1AMAOBCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 BTK 560/4885KDM1A 1627/4885MAOB 1367/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 BTK 698/4885KDM1A 1787/4885MAOB 1382/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 BTK 637/4885KDM1A 1615/4885MAOB 1250/4885

“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.