SCHEMBL3205535

SCHEMBL3205535

CC(C)(C)OC(=O)C(Br)CN

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL1286840 0.83 NOS1 (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL8785206 0.82 ZDHHC7 (0.39) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL9352351 0.82 KMT2A (0.33) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL6337940 0.80 ALDH1A1 (0.42) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL217805 0.80 ZDHHC7 (0.34) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL28198415 0.79 LMNA (0.33) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL27905397 0.77 ZDHHC7 (0.46) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL9079671 0.77 ZDHHC7 (0.46) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL6932447 0.77 KMT2A (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL27747509 0.77 NOS1 (0.36) NOS1NOS3NOS2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12343323-B2 Taxane-lipid-polysaccharide dual conjugates, preparation methods thereof and uses thereof SANTOLECAN PHARMACEUTICALS LLC (US) 2025-07-01 US disclosed
CN-112351976-B Taxane-lipid-polysaccharide double-type coupling body, preparation method and application thereof 圣多利康制药责任有限公司 2024-04-19 CN disclosed
EP-3125949-B1 DENDRONIZED METALLIC OXIDE NANOPARTICLES, A PROCESS FOR PREPARING THE SAME AND THEIR USES CENTRE NAT RECH SCIENT (FR) 2023-11-08 EP disclosed
EP-4182305-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE Iowa State University Research Foundation, Inc. (US) 2023-05-24 EP disclosed
US-20220370630-A1 TRANSMUCOSAL DELIVERY SYSTEM FOR PHARMACEUTICAL ACTIVE INGREDIENT TO SUBMUCOSAL TISSUE OF BLADDER SEIKAGAKU CORPORATION (JP) 2022-11-24 US disclosed
EP-4039279-A1 TRANSMUCOSAL DELIVERY SYSTEM FOR MEDICINAL ACTIVE INGREDIENT TO SUBMUCOSA OF BLADDER Seikagaku Corporation (JP) 2022-08-10 EP disclosed
US-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF SANTOLECAN PHARMACEUTICALS LLC 2021-07-29 US disclosed
CN-110642849-B Protein degradation targeting chimera and preparation method and application thereof 中南大学湘雅医院 2021-05-28 CN disclosed
EP-3812376-A1 PACLITAXEL-LIPID-POLYSACCHARIDE DUAL-TYPE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Santolecan Pharmaceuticals LLC (US) 2021-04-28 EP disclosed
WO-2021066175-A1 TRANSMUCOSAL DELIVERY SYSTEM FOR MEDICINAL ACTIVE INGREDIENT TO SUBMUCOSA OF BLADDER 生化学工業株式会社 2021-04-08 WO disclosed
WO-2004062625-A2 MACROCYCLIC BETA-SECRETASE INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2004-07-29 WO disclosed
US-6630469-B2 Amino-pyrimidine and amino-triazine derivatives having 5-HT7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, cicadian rhythm disorders and hypertension BRISTOL-MYERS SQUIBB COMPANY 2003-10-07 US disclosed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
US-5998415-A Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors MERCK SHARP & DOHME LTD. (GB) 1999-12-07 US disclosed
WO-1997016446-A1 BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-09 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-12343323-B2 Taxane-lipid-polysaccharide dual conjugates, preparation methods thereof and uses thereof DDOST, UGT2B17, UGT1A7 NOS1 4486/4885NOS3 4441/4885NOS2 4214/4885
US-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A NOS1 2888/4885NOS3 2916/4885NOS2 3085/4885
US-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF DDOST, UGT2B17, UGT1A7 NOS1 4486/4885NOS3 4441/4885NOS2 4214/4885
US-20220370630-A1 TRANSMUCOSAL DELIVERY SYSTEM FOR PHARMACEUTICAL ACTIVE INGREDIENT TO SUBMUCOSAL TISSUE OF BLADDER PIGS, MMP7, CD44 NOS1 3207/4885NOS3 2855/4885NOS2 2359/4885

“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.