SCHEMBL3872646

SCHEMBL3872646

O=C(NC1CCCCC1)c1cccc(CNS(=O)(=O)c2cc3ccccc3s2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.50
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3873253 0.88 ALDH1A1 (0.55) LMNAKMT2AHTTSMN1; SMN2NPC1
SCHEMBL3872649 0.82 ALDH1A1 (0.49) LMNAKMT2AHTTSMN1; SMN2TSHR
SCHEMBL3876662 0.81 HSD11B1 (0.60) HSD11B1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL3874272 0.79 POLB (0.49) LMNAKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL3875950 0.78 TSHR (0.61) HSD11B1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL3874108 0.76 HSD11B1 (0.47) HSD11B1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL3875007 0.75 HRH4 (0.51) HSD11B1LMNAHTTSMN1; SMN2TSHR
SCHEMBL3874736 0.74 HSD11B1 (0.54) HSD11B1KMT2ARAB9ANPC1MEN1
SCHEMBL3876258 0.74 HSD11B1 (0.56) HSD11B1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL27921989 0.73 ALDH1A1 (0.55) KMT2AHTTSMN1; SMN2ALDH1A1L3MBTL1

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 HSD11B1 3/4885LMNA 2473/4885KMT2A 1867/4885

“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.