SCHEMBL3873253

SCHEMBL3873253

O=C(NCC1CCCCC1)c1cccc(CNS(=O)(=O)c2cc3ccccc3s2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CNR1 P21554 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.46
NPY5R Q15761 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
CACNA1H O95180 1/20 0.43
CA2 P00918 1/20 0.42
F10 P00742 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 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
SCHEMBL3872646 0.88 HSD11B1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL3882723 0.84 ALDH1A1 (0.51) ALDH1A1PKMMEN1KMT2ACNR1
SCHEMBL3879290 0.82 ALDH1A1 (0.66) ALDH1A1PKMMEN1KMT2AHDAC6
SCHEMBL3872680 0.79 ALDH1A1 (0.64) ALDH1A1PKMMEN1KMT2AHDAC6
SCHEMBL3874272 0.78 POLB (0.49) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL3874108 0.75 HSD11B1 (0.47) ALDH1A1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL3872261 0.74 ALDH1A1 (0.56) ALDH1A1PKMMEN1KMT2AHDAC6
SCHEMBL3875007 0.74 HRH4 (0.51) ALDH1A1PKMPOLBSMN1; SMN2HTT
SCHEMBL3874725 0.73 ALDH1A1 (0.59) ALDH1A1PKMMEN1KMT2AHDAC6
SCHEMBL10722330 0.73 MEN1 (0.81) ALDH1A1PKMMEN1KMT2AHDAC6

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 ALDH1A1 210/4885PKM 1568/4885MEN1 1676/4885

“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.