SCHEMBL50639

SCHEMBL50639

CC(C)(C)c1csc(S(N)(=O)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
CCR4 P51679 3/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
CA2 P00918 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA1 P00915 1/20 0.37
LMNA P02545 3/20 0.37
ATAD2 Q6PL18 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
NPSR1 Q6W5P4 3/20 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
SCHEMBL19475490 0.85 CA2 (0.34) CA2CA1MAPTHPGDHSD17B10
SCHEMBL21777347 0.81 MEN1 (0.39) NPC1RAB9ACA2MEN1KMT2A
SCHEMBL1085712 0.81 HTR1A (0.39) HTR1AHTR2AHTR7CCR4NPC1
SCHEMBL24499804 0.79 LMNA (0.39) HTR1AHTR2AHTR7CCR4NPC1
SCHEMBL9095722 0.74 NOS1 (0.46) NPC1RAB9ACA2MEN1KMT2A
SCHEMBL21892985 0.72 NLRP3 (0.34) CA2
SCHEMBL3138923 0.71 CA2 (0.40) CA2CA1TSHR
SCHEMBL9365275 0.69 CA2 (0.36) CA2CA1
SCHEMBL20929927 0.69 CA2 (0.36) RAB9ACA2KMT2ACA1LMNA
SCHEMBL77483 0.69 SMN1; SMN2 (0.50) HTR1AHTR2AHTR7CCR4NPC1

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
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2518073-A1 Compounds for the treatment of Hepatitis C Bristol-Myers Squibb Company (US) 2012-10-31 EP disclosed
EP-2209784-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-8129367-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129367-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129367-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2209784-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-07-28 EP disclosed
WO-2009067481-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-28 WO disclosed
US-20090130057-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
US-20090130057-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
US-20090130057-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 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 (2 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-20120115847-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HTR1A 4465/4885HTR2A 4583/4885HTR7 3633/4885
US-20090130057-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HTR1A 4465/4885HTR2A 4583/4885HTR7 3633/4885

“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.