SCHEMBL3879290

SCHEMBL3879290

O=C(NCC1CCCCC1)c1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
PKM P14618 1/20 0.66
CYP19A1 P11511 1/20 0.59
NPY5R Q15761 2/20 0.57
HTT P42858 1/20 0.54
F2 P00734 1/20 0.53
F10 P00742 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ACACB O00763 1/20 0.52
POLB P06746 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51

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
SCHEMBL3876662 0.87 HSD11B1 (0.60) ALDH1A1PKMCYP19A1NPY5RHTT
SCHEMBL3872680 0.87 ALDH1A1 (0.64) ALDH1A1PKMHTTMEN1KMT2A
SCHEMBL3878132 0.83 HTT (0.58) ALDH1A1PKMHTTMEN1KMT2A
SCHEMBL3873253 0.82 ALDH1A1 (0.55) ALDH1A1PKMNPY5RHTTF10
SCHEMBL3874725 0.81 ALDH1A1 (0.59) ALDH1A1PKMCYP19A1HTTMEN1
SCHEMBL3872817 0.80 HTT (0.68) CYP19A1HTTF2F10POLB
SCHEMBL23052424 0.79 NPY5R (0.69) ALDH1A1CYP19A1NPY5RKMT2AACACB
SCHEMBL3872261 0.77 ALDH1A1 (0.56) ALDH1A1PKMHTTMEN1KMT2A
SCHEMBL3871576 0.76 POLB (0.78) ALDH1A1CYP19A1NPY5RF2F10
SCHEMBL3882407 0.76 GPR17 (0.64) ALDH1A1CYP19A1F2F10MEN1

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 1568/4885CYP19A1 23/4885

“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.