SCHEMBL3878752

SCHEMBL3878752

Cc1c(S(=O)(=O)N(C)Cc2cccc(C(=O)NCC3CCCCC3)c2)sc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PFKFB3 Q16875 6/20 0.44
PFKFB4 Q16877 6/20 0.44
F10 P00742 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3872971 0.89 NPC1 (0.48) ALDH1A1L3MBTL1PFKFB3PFKFB4F10
SCHEMBL3874981 0.82 PFKFB4 (0.51) CXCR3ALDH1A1PFKFB3PFKFB4LMNA
SCHEMBL3879417 0.82 PFKFB3 (0.61) L3MBTL1PFKFB3PFKFB4F10LMNA
SCHEMBL3874308 0.82 PFKFB4 (0.45) CXCR3PFKFB3PFKFB4F10LMNA
SCHEMBL3886211 0.81 PFKFB4 (0.64) PFKFB3PFKFB4F10
SCHEMBL3886517 0.81 PFKFB3 (0.53) CXCR3PFKFB3PFKFB4TP53
SCHEMBL3881241 0.80 LSS (0.43) CXCR3HTTGAAPFKFB3PFKFB4
SCHEMBL3873244 0.80 HTT (0.51) CXCR3HTTALDH1A1GAAL3MBTL1
SCHEMBL3873199 0.79 PFKFB4 (0.48) ALDH1A1L3MBTL1PFKFB3PFKFB4F10
SCHEMBL3882723 0.77 ALDH1A1 (0.51) CXCR3HTTALDH1A1GAAL3MBTL1

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 CXCR3 706/4885HTT 4278/4885ALDH1A1 210/4885

“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.