SCHEMBL1659564

SCHEMBL1659564

O=C(O)c1csc(Cc2ccc(F)c(F)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.60
CACNA1H O95180 1/20 0.60
CACNA1I Q9P0X4 1/20 0.60
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MMP13 P45452 3/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
PREP P48147 1/20 0.48
FAP Q12884 1/20 0.48
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.47
PTPN1 P18031 2/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL3327057 0.81 LMNA (0.65) MMP1MMP2MMP9MMP13HDAC1
SCHEMBL1977126 0.79 HDAC1 (0.72) MMP1MMP2MMP9MMP13HDAC1
SCHEMBL12563279 0.78 CACNA1G (0.76) CACNA1GCACNA1HCACNA1IMMP13HDAC1
SCHEMBL12604051 0.78 CACNA1G (0.72) CACNA1GCACNA1HCACNA1IMMP13HDAC1
SCHEMBL3435874 0.78 LMNA (0.51) MMP1MMP2MMP9MMP13HDAC1
SCHEMBL1659458 0.76 HDAC1 (0.50) MMP1MMP2MMP9MMP13HDAC1
SCHEMBL12563280 0.75 CACNA1G (0.56) CACNA1GCACNA1HCACNA1IHDAC1HDAC6
SCHEMBL1658832 0.74 HDAC1 (0.51) MMP1MMP2MMP9MMP13HDAC1
SCHEMBL1979349 0.74 LMNA (0.70) MMP1MMP2MMP9MMP13HDAC1
SCHEMBL12603592 0.74 CACNA1G (0.56) CACNA1GCACNA1HCACNA1IHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137851-B Compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising same AMOREPACIFIC CORP 2014-08-27 CN disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 CACNA1G 263/4885CACNA1H 290/4885CACNA1I 261/4885

“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.