SCHEMBL3300854

SCHEMBL3300854

Nc1ccc(F)c([C@]23CO[C@@H](C(F)(F)F)C[C@H]2CSC(NC(=O)O)=N3)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.54
KCNH2 Q12809 2/20 0.44
BACE2 Q9Y5Z0 2/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3300849 1.00 BACE1 (0.54) BACE1KCNH2BACE2CYP2D6
SCHEMBL7916594 0.88 BACE1 (0.52) BACE1KCNH2BACE2CYP2D6
SCHEMBL7924984 0.88 BACE1 (0.52) BACE1KCNH2BACE2CYP2D6
SCHEMBL3306823 0.87 BACE1 (0.58) BACE1KCNH2BACE2CYP2D6
SCHEMBL3298619 0.86 BACE1 (0.58) BACE1KCNH2BACE2CYP2D6
SCHEMBL3298112 0.86 BACE1 (0.56) BACE1KCNH2BACE2CYP2D6
SCHEMBL19859360 0.84 BACE1 (0.52) BACE1KCNH2BACE2CYP2D6
SCHEMBL19868229 0.84 BACE1 (0.52) BACE1KCNH2BACE2CYP2D6
SCHEMBL11022485 0.84 BACE1 (0.49) BACE1BACE2
SCHEMBL16649518 0.83 BACE1 (0.59) BACE1KCNH2BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503235-B1 Polyamide and polyesteramide based on trimerised fatty acids-process of production and application for glues WITCO GMBH (DE) 1996-09-11 EP claimed
CN-118147094-A Protein capable of catalyzing monoamidation of symmetrical diamine and derived from fungi and application 上海交通大学 2024-06-07 CN disclosed
CN-118142347-A Preparation method of aliphatic positive nanofiltration membrane based on polyamine diacid chloride monomer 中国石油大学(华东) 2024-06-07 CN disclosed
US-11981827-B2 Waterborne polyurethane dispersion and method for preparing the same DOW GLOBAL TECHNOLOGIES LLC (US) 2024-05-14 US disclosed
EP-3935098-B1 WATERBORNE POLYURETHANE DISPERSION AND METHOD FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2023-11-22 EP disclosed
CN-116693863-A Reticular anti-droplet triazine macromolecule flame-retardant charring agent and preparation method and application thereof 上海力道新材料科技股份有限公司 2023-09-05 CN disclosed
CN-113631616-B Aqueous polyurethane dispersion and method for producing same 陶氏环球技术有限责任公司 2023-06-16 CN disclosed
CN-115090130-B Nanofiltration membrane containing silica gel nanoparticle intermediate layer and preparation method thereof 浙江美易膜科技有限公司 2023-04-25 CN disclosed
CN-112045555-B Method and apparatus for forming advanced polishing pads using additive manufacturing processes 应用材料公司 2022-12-30 CN disclosed
CN-112045557-B Method and apparatus for forming advanced polishing pads using additive manufacturing processes 应用材料公司 2022-11-01 CN disclosed
US-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-11-29 US disclosed
WO-2005034856-A2 TARGETED DRUG-FORMALDEHYDE CONJUGATES AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2005-04-21 WO disclosed
EP-1322626-A1 PROCESS FOR PREPARATION OF N-1 PROTECTED N RING NITROGEN CONTAINING CYCLIC POLYAMINES AND PRODUCTS THEREOF ANORMED INC. (CA) 2003-07-02 EP disclosed
US-6489472-B2 HAS ANTI-HIV (HUMAN IMMUNE DEFICIENCY VIRUS) ACTIVITY ANORMED, INC. (CA) 2002-12-03 US disclosed
US-20020058807-A1 Process for preparation of N-1 protected N ring nitrogen containing cyclic polyamines and products thereof GENZYME CORPORATION 2002-05-16 US disclosed
WO-2002026721-A1 PROCESS FOR PREPARATION OF N-1 PROTECTED N RING NITROGEN CONTAINING CYCLIC POLYAMINES AND PRODUCTS THEREOF ANORMED INC. (CA) 2002-04-04 WO disclosed
WO-1991010691-A1 CURATIVE FOR STRUCTURAL URETHANE ADHESIVE ASHLAND OIL, INC. (US) 1991-07-25 WO disclosed
US-5002806-A Polyol, slow and fast reacting polyamines; fiberglass reinforced polyester substrates ASHLAND OIL, INC. (US) 1991-03-26 US disclosed
EP-0382236-A2 Polyamide laminated on thermoplastic polyurethane THE B.F. GOODRICH COMPANY (US) 1990-08-16 EP disclosed
US-3956329-A CRACKING CYCLIZATION SHUNAN PETROCHEMICAL COMPANY, LTD. (JA) 1976-05-11 US 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 (2 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-20020058807-A1 Process for preparation of N-1 protected N ring nitrogen containing cyclic polyamines and products thereof NGLY1, MNS1, SRM BACE1 2059/4885KCNH2 1549/4885BACE2 4130/4885
US-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same HCAR1, DHFR, FOLR1 BACE1 2939/4885KCNH2 4691/4885BACE2 3137/4885

“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.