SCHEMBL454607

SCHEMBL454607

CCc1ccc(C(=O)c2sc(Br)c(Br)c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 6/20 0.43
PLK1 P53350 1/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 4/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
AGTR1 P30556 1/20 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
SCHEMBL2935942 0.72 ALDH1A1 (0.70) MAPTHTTSMN1; SMN2ALDH1A1PLK1
SCHEMBL28400194 0.71 HTT (0.67) MAPTHTTSMN1; SMN2ALDH1A1PLK1
SCHEMBL1853975 0.70 MAPT (0.49) MAPTHTTSMN1; SMN2ALDH1A1PLK1
SCHEMBL454410 0.70 GSK3B (0.49) MAPTHTTSMN1; SMN2ALDH1A1PLK1
SCHEMBL454453 0.69 SLC5A2 (0.49) MAPTSMN1; SMN2ALDH1A1PLK1TP53
SCHEMBL12595805 0.69 ALDH1A1 (0.70) MAPTHTTSMN1; SMN2ALDH1A1PLK1
SCHEMBL9242999 0.69 ALDH1A1 (0.70) MAPTHTTSMN1; SMN2ALDH1A1PLK1
SCHEMBL3793823 0.68 LMNA (0.61) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1127826 0.68 ALDH1A1 (0.57) MAPTHTTSMN1; SMN2ALDH1A1PLK1
SCHEMBL1973056 0.66 MAPT (0.50) MAPTHTTALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006187-B2 Thiophene derivative as SGLT2 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2015-04-14 US disclosed
US-9006187-B2 Thiophene derivative as SGLT2 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2015-04-14 US disclosed
US-9006187-B2 Thiophene derivative as SGLT2 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2015-04-14 US disclosed
US-20130172278-A1 NOVEL THIOPHENE DERIVATIVE AS SGLT2 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2013-07-04 US disclosed
US-20130172278-A1 NOVEL THIOPHENE DERIVATIVE AS SGLT2 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2013-07-04 US disclosed
US-20130172278-A1 NOVEL THIOPHENE DERIVATIVE AS SGLT2 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2013-07-04 US disclosed
WO-2012033390-A2 NOVEL THIOPHENE DERIVATIVE AS SGLT2 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-03-15 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-20130172278-A1 NOVEL THIOPHENE DERIVATIVE AS SGLT2 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SLC5A2, SLC5A1, SLC2A2 MAPT 1135/4885HTT 2217/4885SMN1; SMN2 4626/4885

“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.