SCHEMBL6345668

SCHEMBL6345668

c1csc(N2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALDH1A1 P00352 9/20 0.49
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AR P10275 1/20 0.49
LMNA P02545 1/20 0.47
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL2635747 0.84
SCHEMBL3053970 0.80 GAA (0.42) HTTALDH1A1NPC1RAB9AMAPT
SCHEMBL2048093 0.80
SCHEMBL29181 0.78 NPC1 (0.44) HTTALDH1A1NPC1RAB9AMAPT
SCHEMBL8181923 0.78 NPC1 (0.44) HTTALDH1A1NPC1RAB9AMAPT
SCHEMBL8204298 0.77 PKM (0.34) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17198007 0.77 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22495389 0.76 HDAC8 (0.65) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4328483 0.75 ADRB1 (0.47) ALDH1A1KDM4E
SCHEMBL1035325 0.75 MAPT (0.34) HTTALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916841-B2 Inhibitors of phospholipase enzymes GENETICS INSTITUTE, LLC (US) 2005-07-12 US claimed
CN-117964623-A Targeted protein degradation compound and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-05-03 CN disclosed
CN-112703231-B Laminable inks 阿卡曾塔板材型材有限公司 2023-04-07 CN disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
CN-108997372-B Compound for positron imaging, intermediate thereof, preparation method and imaging agent 华中科技大学同济医学院附属协和医院 2020-07-28 CN disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 US disclosed
EP-2890691-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS Principia Biopharma Inc. (US) 2015-07-08 EP disclosed
CN-103998935-A Hsp90 combination therapy SLOAN KETTERING INST CANCER 2014-08-20 CN disclosed
WO-2014036016-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-03-06 WO disclosed
CN-102970868-A Treatment of cancers having K-RAS mutations CURIS INC 2013-03-13 CN disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US disclosed
US-4318979-A COMBINATION TETRAZOLIUM SALT KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1982-03-09 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-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 HTT 3323/4885ALDH1A1 1159/4885NPC1 1740/4885
US-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 HTT 3428/4885ALDH1A1 399/4885NPC1 3073/4885

“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.