SCHEMBL5853005

SCHEMBL5853005

C=CCSc1cc(Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 2/20 0.44
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP3A4 P08684 4/20 0.39
CYP2C19 P33261 3/20 0.39
NR2F2 P24468 1/20 0.39
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL18129367 0.78 CYP1A2 (0.49) HPGDTP53ALOX15SMN1; SMN2CYP1A2
SCHEMBL1436075 0.76 CYP2D6 (0.50) HPGDTP53ALOX15CYP1A2CYP2D6
SCHEMBL10351892 0.76 MEN1 (0.41) HPGDTP53ALOX15SMN1; SMN2NPC1
SCHEMBL5185226 0.74 CYP1A2 (0.49) HPGDTP53ALOX15SMN1; SMN2CYP1A2
SCHEMBL224923 0.74 TP53 (0.52) HPGDTP53ALOX15SMN1; SMN2CYP1A2
SCHEMBL8770615 0.71 ALDH1A1 (0.40) HPGDTP53ALOX15SMN1; SMN2NPC1
SCHEMBL5854053 0.71 HDAC3 (0.44) HPGDTP53ALOX15SMN1; SMN2NPC1
SCHEMBL27406257 0.71 DAO (0.39) HPGDTP53ALOX15SMN1; SMN2NPC1
SCHEMBL1145555 0.70 TP53 (0.48) HPGDTP53ALOX15SMN1; SMN2CYP1A2
SCHEMBL7268486 0.69 HPGD (0.58) HPGDTP53ALOX15SMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6025150-A None JP disclosed
US-7087764-B2 Process for producing arylsulfenyl halide SHIONOGI & CO., LTD. (JP) 2006-08-08 US 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
EP-0770599-B1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS (JP) 2002-08-07 EP disclosed
EP-1072588-A1 PROCESS FOR PRODUCING ARYLSULFENYL HALIDE SHIONOGI & CO., LTD. (JP) 2001-01-31 EP disclosed
US-5811571-A HALOGENATING AN AROMATIC OR HETEROAROMATIC METHYL SULFIDE OR METHYL SULFOXIDE IN PRESENCE OF WATER SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-09-22 US disclosed
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed
JP-H0625150-A PRODUCTION OF @(3754/24)2,5-DICHLOROPHENYLTHIO)ACETIC ACID SUMITOMO SEIKA CHEM CO LTD 1994-02-01 JP 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 HPGD 2914/4885TP53 4175/4885ALOX15 1621/4885

“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.