SCHEMBL3877752

SCHEMBL3877752

COC(=O)c1cccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.54
POLB P06746 2/20 0.53
PDE4D Q08499 1/20 0.51
PLAT P00750 1/20 0.47
RAB9A P51151 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KAT6A Q92794 1/20 0.47
NR3C1 P04150 1/20 0.46
ADAM10 O14672 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46

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
SCHEMBL3881039 0.88 POLB (0.57) POLBPDE4DRAB9AMEN1KMT2A
SCHEMBL3872842 0.87 POLB (0.53) POLBPDE4DRAB9ARXFP1HSD17B1
SCHEMBL3883761 0.85 HSD17B1 (0.60) PLAUPDE4DRAB9AHSD17B1HSD17B2
SCHEMBL644276 0.84 USP2 (0.49) RAB9ARXFP1HSD17B1HSD17B2LOXL2
SCHEMBL3875049 0.84 PPARG (0.48) POLBPDE4DRAB9ARXFP1HSD17B1
SCHEMBL3873257 0.81 ENPP2 (0.55) POLBRAB9ARXFP1MEN1KMT2A
SCHEMBL14470052 0.80 POLB (0.67) POLBPDE4DRAB9ARXFP1MEN1
SCHEMBL3885140 0.79 NR1H4 (0.60) POLBMMP13TAS2R14HTT
SCHEMBL3879724 0.79 ALDH1A1 (0.57) RAB9ANPC1LMNASMN1; SMN2
SCHEMBL3879707 0.79 RAB9A (0.53) RAB9ARXFP1LOXL2NR3C1CYP4F2

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
EP-1814846-B1 11BETA-HSD1 INHIBITORS EVOTEC AG (DE) 2009-04-08 EP disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 US disclosed
EP-1814846-A1 11BETA-HSD1 INHIBITORS Evotec AG (DE) 2007-08-08 EP disclosed
WO-2006048330-A1 11ΒΕΤΑ-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 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-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 PLAU 3144/4885POLB 2253/4885PDE4D 1128/4885

“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.