SCHEMBL3376870

SCHEMBL3376870

CCOc1csc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ATM Q13315 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PAX8 Q06710 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDK2 Q15119 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7253011 0.76 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL7524864 0.74 NQO1 (0.46) NQO1MAPTALDH1A1HSD17B10KMT2A
SCHEMBL12128793 0.72 RXRA (0.53) NQO1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL21700400 0.72
SCHEMBL8121568 0.68 LMNA (0.34) MAPTLMNAL3MBTL1ATMMAPK1
SCHEMBL24579381 0.68 ALDH1A1 (0.41) NQO1MAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL130154 0.67 ESR1 (0.42)
SCHEMBL15352965 0.67 L3MBTL1 (0.36) MAPTALDH1A1HSD17B10LMNAL3MBTL1
SCHEMBL21241117 0.67 MAPT (0.46) MAPTALDH1A1HSD17B10LMNAL3MBTL1
SCHEMBL24577776 0.67 ALDH1A1 (0.38) NQO1MAPTALDH1A1HSD17B10LMNA

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
EP-1937659-B1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-7683181-B2 Cyclic N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for the therapeutic use thereof SANOFI-AVENTIS (FR) 2010-03-23 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
EP-1937659-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007039173-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 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-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF PPARD, GPR119, PPARG NQO1 571/4885MAPT 3008/4885ALDH1A1 1628/4885

“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.