SCHEMBL4159760

SCHEMBL4159760

CN(C1CCCCC1)S(=O)(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
KDM4E B2RXH2 1/20 1.00
HTR2A P28223 3/20 0.69
HTR2C P28335 3/20 0.69
GAA P10253 4/20 0.63
LMNA P02545 2/20 0.63
MCOLN3 Q8TDD5 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GPR55 Q9Y2T6 1/20 0.56
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL12077352 0.96 ALDH1A1 (0.93) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL2505847 0.91 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL12418056 0.90 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL28770811 0.84 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL9303072 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL4742374 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL3485687 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL19563418 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL16059927 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4EHTR2A
SCHEMBL8349997 0.81 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AKDM4EHTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-8106045-B2 2-morpholino-4-pyrimidone compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-31 US disclosed
US-8106045-B2 2-morpholino-4-pyrimidone compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-31 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2009-05-14 US disclosed
US-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2009-05-14 US disclosed
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN disclosed
WO-2006028290-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2006-03-16 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 (3 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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM ALDH1A1 631/4885MEN1 3126/4885KMT2A 2350/4885
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 ALDH1A1 592/4885MEN1 4160/4885KMT2A 3000/4885
US-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MAPT, PSEN1, PSEN2 ALDH1A1 3276/4885MEN1 1278/4885KMT2A 1800/4885

“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.