SCHEMBL5854060

SCHEMBL5854060

C=CC(SC(C=C)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ADRB2 P07550 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2A6 P11509 1/20 0.36
CYP19A1 P11511 3/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL776296 0.76 CYP2C19 (0.36) TSHRTDP1LMNAMAPTALOX15
SCHEMBL3853939 0.73 TSHR (0.44) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL10410615 0.70 ADRB2 (0.50) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL16234245 0.70 ADRB2 (0.50) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL28742456 0.70 ADRB2 (0.50) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL12015736 0.70 TSHR (0.48) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL5854067 0.70 TSHR (0.41) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL10672170 0.68 ATM (0.45) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL10977277 0.67 SLC6A4 (0.52) IDO1TDO2TSHRMAPK1HIF1A
SCHEMBL10681087 0.67 ADRB2 (0.46) IDO1TDO2TSHRMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1072588-A1 PROCESS FOR PRODUCING ARYLSULFENYL HALIDE SHIONOGI & CO., LTD. (JP) 2001-01-31 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-20030195363-A1 Process for producing arylsulfenyl halide ALK, CBR1, CYP1B1 IDO1 605/4885TDO2 981/4885TSHR 620/4885

“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.