SCHEMBL454453

SCHEMBL454453

CCc1ccc(Cc2sc(Br)c(Br)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.49
MAPT P10636 5/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 3/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL454607 0.69 MAPT (0.46) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL153188 0.67 ADRA1D (0.44) SLC5A2MAPTALDH1A1MEN1POLB
SCHEMBL12514878 0.67 SMN1; SMN2 (0.41) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL155595 0.67 ALDH1A1 (0.35) SLC5A2MAPTALDH1A1LMNAPOLB
SCHEMBL2491352 0.66 TP53 (0.56) ALDH1A1LMNAKMT2ASMN1; SMN2TAAR1
SCHEMBL155145 0.64 TDP1 (0.40) SLC5A2ALDH1A1TAAR1TP53KDM4E
SCHEMBL1856710 0.63 SLC6A4 (0.35) SLC5A2ALDH1A1MEN1KMT2ATAAR1
SCHEMBL36295 0.63 TP53 (0.67) ALDH1A1LMNASMN1; SMN2TAAR1CYP1A2
SCHEMBL5389073 0.62 GSK3B (0.32) USP2
SCHEMBL6548000 0.62 IDO1 (0.48) ALDH1A1MEN1KMT2ATAAR1CYP1A2

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 8 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
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 SLC5A2 1/4885MAPT 1135/4885ALDH1A1 1762/4885

“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.