SCHEMBL1010022

SCHEMBL1010022

Cc1ccc(Cc2cc(Br)ccc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAOB P27338 1/20 0.41
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE3B Q13370 1/20 0.36

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
SCHEMBL37695 0.87 KDM4E (0.44) ALDH1A1MAPTRAB9ASLC5A1SLC5A2
SCHEMBL15741057 0.85 CCR5 (0.47) MAPTSLC5A1MEN1KMT2A
SCHEMBL17175 0.85 ESR1 (0.45) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL12117392 0.85 BCL2 (0.44) ALDH1A1MAPTCYP3A4CYP2D6CYP2C19
SCHEMBL31158270 0.84 TAAR1 (0.52) ALDH1A1TAAR1CYP3A4CYP2D6CYP2C19
SCHEMBL10675819 0.84 TAAR1 (0.52) ALDH1A1TAAR1CYP3A4CYP2D6CYP2C19
SCHEMBL180996 0.82 SLC5A1 (0.46) MAOBMAPTNPC1LMNARAB9A
SCHEMBL12363975 0.82 SLC6A4 (0.47) ALDH1A1MAPTCYP3A4CYP2D6CYP2C19
SCHEMBL1539254 0.81 SLC5A2 (0.47) ALDH1A1MAOBHTR7HTR6MAPT
SCHEMBL5551682 0.81 TAAR1 (0.54) ALDH1A1TAAR1CYP3A4CYP2D6CYP2C19

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-9688710-B2 Inhibitors of sodium glucose cotransporter 1 LEXICON PHARMACEUTICALS, INC. (US) 2017-06-27 US disclosed
US-20160326205-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-10 US disclosed
US-9200025-B2 Inhibitors of sodium glucose cotransporter 1 LEXICON PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20140309178-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 LEXICON PHARMACEUTICALS, INC. (US) 2014-10-16 US disclosed
CN-101998962-A Novel aromatic fluoroglycoside derivatives, medicaments containing said compounds and the use thereof SANOFI AVENTIS 2011-03-30 CN disclosed
US-20110059910-A1 Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
EP-2268653-A2 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICALS COMPRISING SAID COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-01-05 EP disclosed
WO-2009100936-A2 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICALS COMPRISING SAID COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2009-08-20 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 (3 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-20110059910-A1 Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof SLC5A2, SLC5A1, SLC2A2 ALDH1A1 1554/4885MAOB 1135/4885HTR7 1437/4885
US-20140309178-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 SLC5A1, SLC5A2, SLC2A1 ALDH1A1 426/4885MAOB 1945/4885HTR7 1889/4885
US-20160326205-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 SLC5A1, SLC5A2, SLC2A1 ALDH1A1 426/4885MAOB 1945/4885HTR7 1889/4885

“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.