SCHEMBL3872971

SCHEMBL3872971

Cc1c(S(=O)(=O)N(C)Cc2cccc(C(=O)NC3CCCCC3)c2)sc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PFKFB3 Q16875 5/20 0.47
PFKFB4 Q16877 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
F10 P00742 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
LMNA P02545 1/20 0.42
CMA1 P23946 1/20 0.42

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
SCHEMBL3878752 0.89 CXCR3 (0.46) PFKFB3PFKFB4MEN1KMT2AL3MBTL1
SCHEMBL3879417 0.85 PFKFB3 (0.61) PFKFB3PFKFB4MEN1KMT2AL3MBTL1
SCHEMBL3874736 0.85 HSD11B1 (0.54) NPC1RAB9APFKFB3PFKFB4MEN1
SCHEMBL3886211 0.83 PFKFB4 (0.64) RAB9APFKFB3PFKFB4F10CMA1
SCHEMBL3874981 0.80 PFKFB4 (0.51) NPC1RAB9APFKFB3PFKFB4ALDH1A1
SCHEMBL3873199 0.80 PFKFB4 (0.48) PFKFB3PFKFB4L3MBTL1ALDH1A1F10
SCHEMBL3874308 0.80 PFKFB4 (0.45) PFKFB3PFKFB4F10LMNACMA1
SCHEMBL3881153 0.79 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL3886517 0.79 PFKFB3 (0.53) RAB9APFKFB3PFKFB4CMA1
SCHEMBL3881241 0.78 LSS (0.43) PFKFB3PFKFB4MEN1KMT2ALMNA

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 NPC1 599/4885RAB9A 4300/4885PFKFB3 1134/4885

“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.