SCHEMBL357188

SCHEMBL357188

CN1CCC(S(C)(=O)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
HTR2A P28223 14/20 0.35
HTR2C P28335 14/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
Hydrochloric Acid SCHEMBL1902055 0.97 NCF1 (0.36) NCF1HTR2AHTR2CL3MBTL1MEN1
SCHEMBL12324 0.85 NCF1 (0.34) NCF1HTR2AHTR2C
SCHEMBL14022395 0.85 NCF1 (0.34) NCF1HTR2AHTR2C
SCHEMBL19544965 0.80 NCF1 (0.34) NCF1HTR2AHTR2CL3MBTL1MEN1
SCHEMBL4327940 0.79 LMNA (0.48) NCF1HTR2AHTR2CL3MBTL1MEN1
SCHEMBL19293984 0.78 HTR2A (0.36) NCF1HTR2AHTR2CL3MBTL1MEN1
SCHEMBL23155733 0.77 IDO1 (0.31) IDO1
SCHEMBL19195506 0.77 IDO1 (0.31) IDO1
SCHEMBL4324998 0.77 HTR2A (0.36) NCF1HTR2AHTR2CL3MBTL1MEN1
SCHEMBL357187 0.77 IDO1 (0.31) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US claimed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US claimed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP claimed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US claimed
US-11814373-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230312539-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-10-05 US disclosed
CN-115010836-B Electrochromic polymer, nano particle and device 吉林大学 2023-09-08 CN disclosed
US-20230246229-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. 2023-08-03 US disclosed
WO-2023125707-A1 P38 MAPK/MK2 PATHWAY REGULATOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 上海美悦生物科技发展有限公司 2023-07-06 WO disclosed
EP-4198024-A1 PYRAZOLE MAGL INHIBITORS H. Lundbeck A/S (DK) 2023-06-21 EP disclosed
EP-3630744-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2023-01-25 EP disclosed
WO-2022111621-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-02 WO disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
EP-1643998-B1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
WO-2007025284-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 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 (7 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-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 NCF1 2389/4885HTR2A 3176/4885HTR2C 3186/4885
US-20230312539-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS NCF1 408/4885HTR2A 4346/4885HTR2C 4337/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 NCF1 1280/4885HTR2A 721/4885HTR2C 622/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA NCF1 3036/4885HTR2A 198/4885HTR2C 443/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA NCF1 3036/4885HTR2A 198/4885HTR2C 443/4885
US-11814373-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS NCF1 408/4885HTR2A 4346/4885HTR2C 4337/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 NCF1 2454/4885HTR2A 495/4885HTR2C 131/4885

“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.