SCHEMBL5854053

SCHEMBL5854053

C=CCSc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 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
SCHEMBL7758343 0.89 MAOA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8755108 0.88 L3MBTL1 (0.41) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL7154447 0.83 L3MBTL1 (0.38) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL12218740 0.81 L3MBTL1 (0.37) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL10528716 0.81 L3MBTL1 (0.46) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6697882 0.79 L3MBTL1 (0.36) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL28167886 0.78 KDM4E (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10905711 0.78 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6806413 0.77 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10516600 0.77 NPC1 (0.41) RAB9ANPC1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720447-A Method for synthesizing 1,3-N, S compound by rhodium catalysis 华南理工大学 2024-03-19 CN disclosed
CN-109574890-B N-sulfenyl-N-allyl substituted amide compound and preparation method thereof 温州大学 2021-08-20 CN disclosed
CN-106117096-A A kind of synthetic method of asymmetric thioether 苏州大学 2016-11-16 CN disclosed
US-7087764-B2 Process for producing arylsulfenyl halide SHIONOGI & CO., LTD. (JP) 2006-08-08 US disclosed
CN-1214004-C Process for preparing arylsulfenyl halides SHIONOGI & CO (JP) 2005-08-10 CN disclosed
US-20030195363-A1 Process for producing arylsulfenyl halide AOKI TSUTOMU (JP) 2003-10-16 US disclosed
EP-1072588-B1 PROCESS FOR PRODUCING ARYLSULFENYL HALIDE SHIONOGI & CO (JP) 2003-07-09 EP disclosed
CN-1296475-A Process for preparing arylsulfonylthio halides SHIONOGI & CO (JP) 2001-05-23 CN disclosed
EP-1072588-A1 PROCESS FOR PRODUCING ARYLSULFENYL HALIDE SHIONOGI & CO., LTD. (JP) 2001-01-31 EP disclosed
EP-0287819-A1 5-(phenyl or phenoxyalkyl)-3-(2-furanyl or 2-thienyl)-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines FISONS CORPORATION (US) 1988-10-26 EP disclosed
US-4769470-A 5-(phenyl or phenoxyalkyl)-3-(2-thienyl)-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines PENNWALT CORPORATION (US) 1988-09-06 US disclosed
EP-0257391-A2 5-Substituted-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines FISONS CORPORATION (US) 1988-03-02 EP disclosed
US-4727156-A 3-(Substituted phenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-{[(substituted phenyl)thio]me}isoxazolidine derivatives PENNWALT CORPORATION (US) 1988-02-23 US disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 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 (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-20030195363-A1 Process for producing arylsulfenyl halide ALK, CBR1, CYP1B1 HDAC3 647/4885HDAC4 2544/4885HDAC1 604/4885

“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.