SCHEMBL3979867

SCHEMBL3979867

CS(=O)(=O)c1ccc(-c2ccc(NCC3CCN(C(=O)C4CCCCC4)CC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTGS2 P35354 2/20 0.47
ALDH1A1 P00352 2/20 0.44
PTPN1 P18031 1/20 0.43
USP30 Q70CQ3 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
VCP P55072 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CNR1 P21554 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41

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
SCHEMBL5083434 0.89 KDM4E (0.52) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL3978507 0.88 USP30 (0.47) KDM4ETSHRHSD17B10PTGS2USP30
SCHEMBL3982989 0.86 KDM4E (0.48) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL3986036 0.84 GRIN2B (0.48) KDM4ETSHRHSD17B10ALDH1A1GPR119
SCHEMBL5083458 0.83 GPR119 (0.60) GPR119
SCHEMBL3983755 0.83 KDM4E (0.43) KDM4ETSHRHSD17B10PTGS2USP30
SCHEMBL3983646 0.81 KDM4E (0.48) KDM4ETSHRHSD17B10PTGS2USP30
SCHEMBL3988318 0.81 ALDH1A1 (0.45) PTGS2ALDH1A1PTPN1HPGDNPSR1
SCHEMBL3983386 0.81 GPR119 (0.56) KDM4ETSHRHSD17B10GPR119
SCHEMBL3980600 0.80 GRIN2B (0.65) F13A1TGM2TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025798-A1 PYRIDINE 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 KDM4E 4829/4885TSHR 488/4885HSD17B10 658/4885

“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.