SCHEMBL4465990

SCHEMBL4465990

CS(=O)(=O)c1ccc(-c2cnc(NCC3CCNCC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
VCP P55072 2/20 0.46
PTGS1 P23219 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
LRRK2 Q5S007 2/20 0.42
KDM1A O60341 2/20 0.42
TRIM58 Q8NG06 2/20 0.42
FAAH O00519 1/20 0.40
PLAT P00750 1/20 0.40
MERTK Q12866 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PRKCQ Q04759 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38

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
SCHEMBL5085870 0.87 PTGS2 (0.47) PTGS2VCPPTGS1JAK2JAK1
SCHEMBL4056907 0.81 TPH1 (0.47) PTGS2VCPPTGS1JAK2JAK1
SCHEMBL4452073 0.81 VCP (0.49) PTGS2VCPPTGS1JAK2JAK1
SCHEMBL4455848 0.77 GRIN2B (0.52)
SCHEMBL4457043 0.77 GPR119 (0.47) PTGS2VCPPTGS1JAK2JAK1
SCHEMBL14640898 0.76 PTGS2 (0.41) PTGS2VCPPTGS1JAK2JAK1
SCHEMBL4460035 0.76 GPR119 (0.54)
SCHEMBL5077936 0.76 GPR119 (0.63) CYP3A4
SCHEMBL3982941 0.76 KDM1A (0.48) PTGS2PTGS1KDM1A
Hydrochloric Acid SCHEMBL387125 0.75 KDM1A (0.47) PTGS2PTGS1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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 (1 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 PTGS2 1169/4885VCP 3919/4885PTGS1 1205/4885

“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.