SCHEMBL3595617

SCHEMBL3595617

CCS(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
MAPT P10636 5/20 0.67
LMNA P02545 4/20 0.67
HTT P42858 4/20 0.67
KMT2A Q03164 4/20 0.67
MEN1 O00255 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
PSMB8 P28062 1/20 0.66
PSMB5 P28074 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA4 P22748 1/20 0.64
CA7 P43166 1/20 0.64
CA14 Q9ULX7 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.60
TP53 P04637 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL30149949 1.00 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL10807598 0.84 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7646253 0.84 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL28000437 0.84 PSMB8 (0.69) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30732411 0.84 PSMB8 (0.69) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL9636277 0.84 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7905772 0.84 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL12344745 0.83 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL12344738 0.83 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL1505008 0.83 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102070563-B Method for preparing 2-benzothiazolylethyl sulfone UNIV ZHEJIANG 2012-06-06 CN claimed
US-5101034-A Reaction of a sulfonylated heteroaromatic with an oxyacetamide; herbicides BAYER AKTIENGESELLSCHAFT (DE) 1992-03-31 US claimed
EP-0165537-B1 PROCESS FOR THE PREPARATION OF HETEROARYLOXYACETAMIDES BAYER AG (DE) 1990-01-17 EP claimed
EP-0165537-A2 Process for the preparation of heteroaryloxyacetamides BAYER AG (DE) 1985-12-27 EP claimed
EP-1740559-B1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
EP-1740559-B1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-20120169974-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
US-20120169974-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
EP-1740559-A4 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO INC (US) 2007-12-12 EP disclosed
WO-2002040459-A1 PREPARATION OF MONOFLUOROALKENES BAYER CROPSCIENCE GMBH (DE) 2002-05-23 WO disclosed
EP-0472975-B1 Asymmetric dioxazine compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1997-12-17 EP disclosed
EP-0541084-B1 Asymmetric dioxazine compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1997-02-26 EP disclosed
US-5101034-A Reaction of a sulfonylated heteroaromatic with an oxyacetamide; herbicides BAYER AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0165537-B1 PROCESS FOR THE PREPARATION OF HETEROARYLOXYACETAMIDES BAYER AG (DE) 1990-01-17 EP disclosed
EP-0165537-A2 Process for the preparation of heteroaryloxyacetamides BAYER AG (DE) 1985-12-27 EP disclosed
EP-0044497-B1 PROCESS FOR THE PRODUCTION OF HETEROCYCLIC SUBSTITUTED DERIVATIVES OF 4-OXYPHENOXY-ALKANE-CARBONIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-28 EP disclosed
EP-0044497-A2 Process for the production of heterocyclic substituted derivatives of 4-oxyphenoxy-alkane-carbonic acid HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-27 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 (1 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-20120169974-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT LASP1, TBRG4, CALCOCO2 ALDH1A1 4768/4885MAPT 59/4885LMNA 946/4885

“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.