SCHEMBL1521856

SCHEMBL1521856

Cc1ccsc1-c1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2E1 P05181 1/20 0.40
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL9089834 0.77 RAB9A (0.41) KDM4EKMT2AHPGDNPC1RAB9A
SCHEMBL467394 0.76 GRM5 (0.30)
SCHEMBL28598912 0.74 PTGS2 (0.44) CYP2A6CYP2B6CYP2E1ALDH1A1MEN1
SCHEMBL722595 0.71 CYP2A6 (0.56) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL28592007 0.70 PTGS2 (0.44) CYP2A6CYP2B6CYP2E1KMT2APTPRC
SCHEMBL8981559 0.70 VHL (0.34) CYP2C19CYP2D6CYP2C9ALDH1A1KDM4E
SCHEMBL570690 0.70 CYP2A6 (0.49) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL12815956 0.69 CYP1A2 (0.31) CYP1A2
SCHEMBL1821918 0.69 CYP2A6 (0.60) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL115447 0.68 CYP3A4 (0.33) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023101004-A1 OLEFIN RESIN, METHOD FOR MANUFACTURING SAME, AND APPLICATION FOR SAME 三井化学株式会社 2023-06-08 WO disclosed
US-7906556-B2 Methods of treating amyloidosis using cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
EP-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-7385085-B2 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
EP-1802574-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING ETHANOL CYCLICAMINE DERIVATIVES ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2007-07-04 EP disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
EP-0151702-B1 ALPHA-HYDROXYKETONE ACETALS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1987-11-25 EP disclosed
EP-0048136-B1 PROCESS FOR PREPARING ALPHA-AROMATIC GROUP SUBSTITUTED ALKANOIC ACIDS OR ESTERS THEREOF SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1986-06-11 EP disclosed
US-4539420-A Optically active 1-aromatic-group-substituted-1-alkanones and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-09-03 US disclosed
EP-0151702-A2 Alpha-hydroxyketone acetals SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-08-21 EP disclosed
EP-0067698-A2 Optically active 1-aromatic-group-substituted-1-alkanones and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-12-22 EP disclosed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP 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-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP CYP2A6 1796/4885CYP3A4 1272/4885CYP2C19 2374/4885
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP CYP2A6 2760/4885CYP3A4 2968/4885CYP2C19 3719/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP CYP2A6 3498/4885CYP3A4 2916/4885CYP2C19 3946/4885

“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.