SCHEMBL2240608

SCHEMBL2240608

CCc1ccc(C(=O)c2cc(I)ccc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.46
PLK1 P53350 1/20 0.44
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CCR9 P51686 1/20 0.39
GAA P10253 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RXRA P19793 1/20 0.37
KCNH2 Q12809 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL3977886 0.94 MAPT (0.45) MAPTSMN1; SMN2HTTRAB9APLK1
SCHEMBL24199841 0.83 MAPT (0.51) MAPTSMN1; SMN2HTTRAB9APLK1
SCHEMBL1252327 0.82 MAPT (0.47) MAPTSMN1; SMN2HTTRAB9APLK1
SCHEMBL1252278 0.79 MAPT (0.47) MAPTSMN1; SMN2HTTRAB9APLK1
SCHEMBL1253396 0.79 MAPT (0.47) MAPTSMN1; SMN2HTTPLK1ALDH1A1
SCHEMBL24199843 0.78 MAPT (0.51) MAPTSMN1; SMN2HTTRAB9APLK1
SCHEMBL1252927 0.78 MAPT (0.48) MAPTSMN1; SMN2HTTRAB9APLK1
SCHEMBL21362751 0.78 ALDH1A1 (0.60) MAPTSMN1; SMN2HTTRAB9APLK1
SCHEMBL1253373 0.76 MAPT (0.44) MAPTSMN1; SMN2HTTRAB9APLK1
SCHEMBL4969708 0.76 MAPT (0.44) MAPTSMN1; SMN2HTTRAB9APLK1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP disclosed
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP disclosed
EP-3106156-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2016-12-21 EP disclosed
EP-3106156-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2016-12-21 EP disclosed
EP-2698152-A1 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivative Boehringer Ingelheim International GmbH (DE) 2014-02-19 EP disclosed
EP-2698152-A1 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivative Boehringer Ingelheim International GmbH (DE) 2014-02-19 EP disclosed
US-8551957-B2 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8551957-B2 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8551957-B2 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8039441-B2 Glucopyranosyl-substituted cyclopropylbenzene derivatives, pharmaceutical compositions containing such compounds, their use as SGLT inhibitors and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 US disclosed
US-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
CN-101784270-A Pharmaceutical compositions comprising glucopyranosyl-substituted benzene derivatives BOEHRINGER INGELHEIM INT 2010-07-21 CN disclosed
US-20100179191-A1 GLUCOPYRANOSYL-SUBSTITUTED CYCLOPROPYLBENZENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AS SGLT INHIBITORS AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 US disclosed
US-20100179191-A1 GLUCOPYRANOSYL-SUBSTITUTED CYCLOPROPYLBENZENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AS SGLT INHIBITORS AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 US disclosed
US-20100179191-A1 GLUCOPYRANOSYL-SUBSTITUTED CYCLOPROPYLBENZENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AS SGLT INHIBITORS AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 US disclosed
EP-2187879-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009022007-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009022007-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2008020011-A1 GLUCOPYRANOSYL-SUBSTITUTED CYCLOPROPYLBENZENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AS SGLT INHIBITORS AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (2 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-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE DPP4, SLC5A1, DPP7 MAPT 3750/4885SMN1; SMN2 1978/4885HTT 2603/4885
US-20100179191-A1 GLUCOPYRANOSYL-SUBSTITUTED CYCLOPROPYLBENZENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AS SGLT INHIBITORS AND PROCESS FOR THEIR MANUFACTURE SLC5A1, SLC5A2, UGGT1 MAPT 66/4885SMN1; SMN2 4012/4885HTT 690/4885

“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.