SCHEMBL12130337

SCHEMBL12130337

CC(C)Nc1cc(C(N)=S)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
GAA P10253 1/20 0.42
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
MAPT P10636 2/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.34
KIF11 P52732 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
SCHEMBL19091527 0.79 TRPA1 (0.53) TRPA1ALDH1A1MAPTIDO1
SCHEMBL627496 0.77 GAA (0.56) GAACTSLCTSBNPSR1ALDH1A1
SCHEMBL19002525 0.77 NOTUM (0.59) TRPA1NPSR1ALDH1A1RHOCRHOA
SCHEMBL12128222 0.77 GAA (0.38) GAAALDH1A1HTTMAPTKMT2A
SCHEMBL16895193 0.75 TRPA1 (0.47) TRPA1ALDH1A1MAPT
SCHEMBL12130296 0.75 LMNA (0.42) GAAL3MBTL1NPSR1HTTRHOC
SCHEMBL13981967 0.73 TRPA1 (0.51) TRPA1ALDH1A1MAPT
SCHEMBL3587775 0.73 GAA (0.49) GAACTSLCTSBALDH1A1MAPT
SCHEMBL12128276 0.73 CTSL (0.47) GAACTSLCTSBALDH1A1CES2
SCHEMBL12130307 0.73 CYP1A2 (0.47) NPSR1ALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
EP-2542089-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-01-18 EP disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 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 (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-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT TRPA1 3741/4885GAA 3958/4885CTSL 4706/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT TRPA1 3741/4885GAA 3958/4885CTSL 4706/4885

“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.