Sugi Predict

Sugi Predict / Compounds / SCHEMBL4174327

SCHEMBL4174327

SCHEMBL4174327

C#CCN(C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2757958 0.84 PYCR1 (0.35) PYCR1ALDH1A1KDM4EHPGD
SCHEMBL16781253 0.78 KDM4E (0.33) PYCR1MEN1HTTKMT2AL3MBTL1
SCHEMBL7059455 0.77 DPP4 (0.40) MEN1HTTKMT2AL3MBTL1
SCHEMBL12057500 0.75 ALDH1A1 (0.33) ALDH1A1MAOB
SCHEMBL30897721 0.75 HDAC6 (0.34) —
SCHEMBL16444054 0.75 CYP1A2 (0.39) MEN1HTTKMT2AL3MBTL1ALDH1A1
SCHEMBL21235962 0.74 MAOB (0.31) MAOB
SCHEMBL14740723 0.72 SAT1 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL29172793 0.72 MAPT (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL13636744 0.72 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928851-B1 VITAMIN D DERIVATIVES ACTIVE ON THE VITAMIN D NUCLEAR RECEPTOR, PREPARATION AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2011-12-14 — — EP claimed
CN-119325476-A Nitrogen-containing condensed 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2025-01-17 — — CN disclosed
CN-118619943-A Heteroaromatic ring compound, pharmaceutical composition and application thereof 上海艾力斯医药科技股份有限公司 2024-09-10 — — CN disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 — — CN disclosed
CN-114521196-A Bifunctional group degradation agent and use method thereof 诺华股份有限公司 2022-05-20 — — CN disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
US-8198263-B2 Vitamin D derivatives active on the vitamin D nuclear receptor, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-06-12 — — US disclosed
EP-1928851-B1 VITAMIN D DERIVATIVES ACTIVE ON THE VITAMIN D NUCLEAR RECEPTOR, PREPARATION AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2011-12-14 — — EP disclosed
US-20090131378-A1 VITAMIN D DERIVATIVES ACTIVE ON THE VITAMIN D NUCLEAR RECEPTOR, PREPARATION AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-05-21 — — US disclosed
EP-1928851-A1 VITAMIN D DERIVATIVES ACTIVE ON THE VITAMIN D NUCLEAR RECEPTOR, PREPARATION AND USES THEREOF Centre National de la Recherche Scientifique (FR) 2008-06-11 — — EP disclosed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 — — US disclosed
EP-1777220-A1 Vitamin D derivatives active on the vitamin D nuclear receptor, preparation and uses thereof Centre National de la Recherche Scientifique (FR) 2007-04-25 — — EP disclosed
WO-2007039526-A1 VITAMIN D DERIVATIVES ACTIVE ON THE VITAMIN D NUCLEAR RECEPTOR, PREPARATION AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-04-12 — — WO disclosed
WO-2004072078-A1 PYRAZOLOTRIAZINE DERIVATIVES, METHODS FOR PRODUCTION AND USES THEREOF UNIVERSITE LOUIS PASTEUR (FR) 2004-08-26 — — WO disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 — — US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 — — EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 — — 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PYCR1 490/4885MEN1 511/4885HTT 2269/4885
US-20090131378-A1 VITAMIN D DERIVATIVES ACTIVE ON THE VITAMIN D NUCLEAR RECEPTOR, PREPARATION AND USES THEREOF VDR, CYP24A1, CYP2R1 PYCR1 1421/4885MEN1 2824/4885HTT 4542/4885
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A PYCR1 1606/4885MEN1 2617/4885HTT 4305/4885

“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.