SCHEMBL4514407

SCHEMBL4514407

CS(=O)(=O)Nc1cccc(-c2ccc(CC3CCN(C45CC6CC(CC(CO)(C6)C4)C5)C3=O)c(Cl)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
BRD4 O60885 2/20 0.35
FPR2 P25090 1/20 0.35
ABL1 P00519 1/20 0.34
MCHR1 Q99705 1/20 0.34
TDP2 O95551 2/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KIF11 P52732 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HSD17B3 P37058 1/20 0.33
FYN P06241 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDE P14735 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL4515943 0.80 P2RX7 (0.36) ALDH1A1SMN1; SMN2IDELMNA
SCHEMBL4515995 0.80 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2IDELMNA
SCHEMBL5543748 0.78 S1PR1 (0.34) EPHX2ALDH1A1IDELMNA
SCHEMBL14365303 0.77 P2RX7 (0.37) EPHX2ALDH1A1SMN1; SMN2IDELMNA
SCHEMBL4520440 0.76 IDE (0.35) EPHX2ALDH1A1SMN1; SMN2IDELMNA
SCHEMBL4509513 0.76 HSD11B1 (0.52) KDM1ABRD4FPR2TDP2DPP4
SCHEMBL4504312 0.75 ALDH1A1 (0.38) ALDH1A1IDE
SCHEMBL5127854 0.70 P2RX7 (0.38) EPHX2ALDH1A1SMN1; SMN2IDELMNA
SCHEMBL4517200 0.70 ALDH1A1 (0.37) EPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4514378 0.69 CYP3A4 (0.36) MCHR1ALDH1A1IDECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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 (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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 KDM1A 1011/4885BRD4 3776/4885FPR2 4191/4885

“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.