SCHEMBL56416

SCHEMBL56416

CC(=O)S[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
NR1H2 P55055 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 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
SCHEMBL1335071 1.00 HPGD (0.48) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL57238 1.00 HPGD (0.48) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL1068169 0.91 MEN1 (0.54) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL1068166 0.91 MEN1 (0.54) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL1068167 0.91 MEN1 (0.54) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL56417 0.90 HPGD (0.54) HPGDMAPTALDH1A1RECQLEPHX1
SCHEMBL1333807 0.86 NR1H2 (0.50) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL16935663 0.84 HPGD (0.56) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL23207055 0.83 HPGD (0.50) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL22680124 0.83 HPGD (0.50) HPGDMAPTMEN1ALDH1A1KMT2A

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267260-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. 2022-08-25 US disclosed
US-8933116-B2 Gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-13 US disclosed
US-8933116-B2 Gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-13 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8653063-B2 N-substituted saturated heterocyclic sulfone compounds with CB2 receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-02-18 US disclosed
US-8653063-B2 N-substituted saturated heterocyclic sulfone compounds with CB2 receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-02-18 US disclosed
US-8653063-B2 N-substituted saturated heterocyclic sulfone compounds with CB2 receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-02-18 US disclosed
US-20140018342-A1 GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2014-01-16 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
WO-2007050522-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-03 WO disclosed
WO-2006078752-A2 INHIBITORS OF DNA METHYLTRANSFERASE METHYLGENE, INC. (CA) 2006-07-27 WO disclosed
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 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 (4 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-20070203122-A1 Derivatives for modulation of ion channels TRPV1, TRPA1, TRPV2 HPGD 1667/4885MAPT 2230/4885MEN1 4785/4885
US-20140018342-A1 GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 HPGD 1842/4885MAPT 53/4885MEN1 2642/4885
US-20220267260-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS KAT5, KAT2A, KAT7 HPGD 3496/4885MAPT 1283/4885MEN1 4099/4885
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B HPGD 1965/4885MAPT 1856/4885MEN1 1877/4885

“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.