SCHEMBL12468706

SCHEMBL12468706

CC(=S)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
L3MBTL1 Q9Y468 2/20 0.70
KDM4E B2RXH2 1/20 0.65
LMNA P02545 2/20 0.64
EPHX2 P34913 3/20 0.62
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.54
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
DHODH Q02127 2/20 0.54
TRPV1 Q8NER1 3/20 0.53
KMT2A Q03164 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL5035158 0.85 MAPT (0.73) MAPTL3MBTL1KDM4ELMNAEPHX2
SCHEMBL19371462 0.82 L3MBTL1 (1.00) MAPTL3MBTL1KDM4ELMNAEPHX2
SCHEMBL23084203 0.81 EPHX2 (0.62) MAPTL3MBTL1KDM4ELMNAEPHX2
SCHEMBL9070653 0.81 EPHX2 (0.73) MAPTL3MBTL1KDM4ELMNAEPHX2
SCHEMBL23084237 0.79 MAPT (0.59) MAPTL3MBTL1KDM4ELMNAEPHX2
SCHEMBL18031171 0.79 MAPT (0.86) MAPTL3MBTL1KDM4ELMNAEPHX2
SCHEMBL14386321 0.78 LMNA (1.00) MAPTL3MBTL1KDM4ELMNAEPHX2
SCHEMBL22816430 0.77 EPHX2 (0.67) MAPTL3MBTL1EPHX2SMN1; SMN2TRPV1
SCHEMBL27424887 0.77 MAPT (0.57) MAPTL3MBTL1KDM4ELMNAEPHX2
SCHEMBL11555827 0.77 EPHX2 (1.00) MAPTEPHX2ALDH1A1TRPV1KMT2A

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-8759382-B2 Propargyl-trifluoromethoxy-aminobenzothiazole derivatives, their preparation and use TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2014-06-24 US disclosed
US-8759382-B2 Propargyl-trifluoromethoxy-aminobenzothiazole derivatives, their preparation and use TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2014-06-24 US disclosed
EP-2621490-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE Teva Pharmaceutical Industries Ltd. (IL) 2013-08-07 EP disclosed
US-20130172364-A1 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2013-07-04 US disclosed
US-20130172364-A1 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2013-07-04 US disclosed
WO-2012050971-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-04-19 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-20130172364-A1 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE PARK7, SNCA, PMP22 MAPT 14/4885L3MBTL1 1647/4885KDM4E 1037/4885

“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.