SCHEMBL4501696

SCHEMBL4501696

O=C1C(Cc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2Cl)CCN1C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.49
HTR6 P50406 4/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MAPT P10636 1/20 0.35
AVPR2 P30518 1/20 0.34
GPR27 Q9NS67 1/20 0.34
TGFBR1 P36897 1/20 0.34
CCR1 P32246 1/20 0.33

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
SCHEMBL4510378 0.92 HSD11B1 (0.51) HSD11B1HTR6EPHX2MAPT
SCHEMBL4516953 0.87 HSD11B1 (0.54) HSD11B1EPHX2NR1H4
SCHEMBL4517664 0.87 HSD11B1 (0.51) HSD11B1EPHX2
SCHEMBL4510498 0.86 HSD11B1 (0.51) HSD11B1EPHX2NR1H4
SCHEMBL4516085 0.86 HSD11B1 (0.55) HSD11B1EPHX2NR1H4
SCHEMBL13675566 0.85 HSD11B1 (0.50) HSD11B1
SCHEMBL4522658 0.85 HSD11B1 (0.45) HSD11B1KCNH2MAPT
SCHEMBL4510336 0.85 HSD11B1 (0.55) HSD11B1EPHX2NR1H4
SCHEMBL5548875 0.82 HSD11B1 (0.63) HSD11B1
SCHEMBL4511346 0.82 HSD11B1 (0.51) HSD11B1EPHX2MAPT

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 3 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
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 HSD11B1 1/4885HTR6 3794/4885DRD3 3583/4885

“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.