SCHEMBL3865037

SCHEMBL3865037

[CH2]C(S)(S)CCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TSHR P16473 4/20 0.50
NFKB1 P19838 2/20 0.50
PMP22 Q01453 1/20 0.50
FOLH1 Q04609 1/20 0.48
SLC22A6 Q4U2R8 2/20 0.46
GPR84 Q9NQS5 4/20 0.42
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
AKR1B1 P15121 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ABCC4 O15439 1/20 0.41
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
HDAC11 Q96DB2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL3873299 0.98 TSHR (0.55) LMNATSHRNFKB1PMP22FOLH1
SCHEMBL3865019 0.98 TSHR (0.55) LMNATSHRNFKB1PMP22FOLH1
SCHEMBL3877478 0.93 LMNA (0.48) LMNATSHRNFKB1PMP22FOLH1
SCHEMBL3867281 0.82
SCHEMBL8863567 0.78 TSHR (0.60) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL18419647 0.78 TSHR (0.60) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL15058054 0.78 TSHR (0.60) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL15058713 0.78 TSHR (0.60) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL15058597 0.78 TSHR (0.60) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL418028 0.78 TSHR (0.60) LMNATSHRNFKB1PMP22SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 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 (5 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-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders CHRNA4, SLC6A4, DRD4 LMNA 4517/4885TSHR 236/4885NFKB1 4534/4885
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 LMNA 4414/4885TSHR 147/4885NFKB1 4760/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 LMNA 3690/4885TSHR 1284/4885NFKB1 4546/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 LMNA 3778/4885TSHR 89/4885NFKB1 4539/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 LMNA 4424/4885TSHR 442/4885NFKB1 2902/4885

“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.