SCHEMBL3872680

SCHEMBL3872680

O=C(NCC1CCCCC1)c1cccc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
PKM P14618 1/20 0.64
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 1/20 0.55
POLB P06746 2/20 0.52
HDAC6 Q9UBN7 2/20 0.50
CA2 P00918 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
CACNA1H O95180 1/20 0.48

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
SCHEMBL3874725 0.89 ALDH1A1 (0.59) ALDH1A1PKMKMT2AMEN1HTT
SCHEMBL3879290 0.87 ALDH1A1 (0.66) ALDH1A1PKMKMT2AMEN1HTT
SCHEMBL3875950 0.87 TSHR (0.61) ALDH1A1KMT2AHTTHDAC6SMN1; SMN2
SCHEMBL3875842 0.85 HTT (0.75) ALDH1A1HTTPOLBHDAC6CA2
SCHEMBL1927570 0.81 MEN1 (0.83) KMT2AMEN1POLBHDAC6SMN1; SMN2
SCHEMBL3883213 0.80 CYP19A1 (0.57) ALDH1A1HTTHDAC6SMN1; SMN2HDAC2
SCHEMBL3873119 0.80 HTT (0.67) ALDH1A1HTTPOLBHDAC6CA2
SCHEMBL3873636 0.80 CYP19A1 (0.59) HTTPOLBHDAC6CA2HDAC2
SCHEMBL3873253 0.79 ALDH1A1 (0.55) ALDH1A1PKMKMT2AMEN1HTT
SCHEMBL3873960 0.78 PKM (0.74) ALDH1A1PKMKMT2AHTTPOLB

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 4 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
EP-1814846-A1 11BETA-HSD1 INHIBITORS Evotec AG (DE) 2007-08-08 EP disclosed
WO-2006048330-A1 11ΒΕΤΑ-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 WO 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 1568/4885KMT2A 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.