SCHEMBL3873199

SCHEMBL3873199

CCN(CC)C(=O)c1cccc(CN(C)S(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 7/20 0.48
PFKFB3 Q16875 6/20 0.48
F10 P00742 1/20 0.42
CMA1 P23946 3/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL3879417 0.89 PFKFB3 (0.61) PFKFB4PFKFB3F10CMA1LMNA
SCHEMBL3886211 0.86 PFKFB4 (0.64) PFKFB4PFKFB3F10CMA1
SCHEMBL3883767 0.83 PFKFB4 (0.55) PFKFB4PFKFB3F10CMA1NPSR1
SCHEMBL14345978 0.82 NPSR1 (0.48) PFKFB4PFKFB3CMA1LMNAMAPT
SCHEMBL3872971 0.80 NPC1 (0.48) PFKFB4PFKFB3F10CMA1LMNA
SCHEMBL3874981 0.80 PFKFB4 (0.51) PFKFB4PFKFB3CMA1LMNAMAPT
SCHEMBL3874308 0.80 PFKFB4 (0.45) PFKFB4PFKFB3F10CMA1LMNA
SCHEMBL3886517 0.79 PFKFB3 (0.53) PFKFB4PFKFB3CMA1TP53
SCHEMBL3878752 0.79 CXCR3 (0.46) PFKFB4PFKFB3F10LMNAMAPT
SCHEMBL3881241 0.78 LSS (0.43) PFKFB4PFKFB3LMNAMAPTRXFP1

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 2 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

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 PFKFB4 1312/4885PFKFB3 1134/4885F10 1194/4885

“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.