SCHEMBL3606914

SCHEMBL3606914

O=Cc1cc(Br)c(OCc2ccccc2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
ERN1 O75460 3/20 0.48
PTPN1 P18031 3/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
CCR5 P51681 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL5646555 0.94 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AERN1PTPN1CCNB2
SCHEMBL6703657 0.87 ERN1 (0.51) SMN1; SMN2RAB9AERN1PTPN1CCNB2
SCHEMBL1539204 0.87 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AERN1PTPN1CCNB2
SCHEMBL20139428 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AERN1PTPN1CCNB2
SCHEMBL2171253 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AERN1PTPN1CCNB2
SCHEMBL25205296 0.83 FFAR1 (0.49) SMN1; SMN2RAB9AERN1CCNB2CDK1
SCHEMBL26832832 0.83 MAPT (0.53) SMN1; SMN2RAB9AERN1CCNB2CDK1
SCHEMBL207723 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AERN1PTPN1CCNB2
SCHEMBL590803 0.83 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AERN1PTPN1CCNB2
SCHEMBL3610064 0.83 NPC1 (0.49) SMN1; SMN2RAB9AERN1CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014917-B2 5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-25 US disclosed
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
US-20200291004-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-17 US disclosed
US-10696662-B2 5-fluoro-C-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-06-30 US disclosed
EP-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed
US-20190055226-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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 (6 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-20190055226-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS SLC5A2, SLC5A1, SLC2A2 SMN1; SMN2 4302/4885RAB9A 1518/4885ERN1 3888/4885
US-10696662-B2 5-fluoro-C-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 SMN1; SMN2 4302/4885RAB9A 1518/4885ERN1 3888/4885
US-20200291004-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS SLC5A2, SLC5A1, SLC2A2 SMN1; SMN2 4259/4885RAB9A 1424/4885ERN1 3779/4885
US-11014917-B2 5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 SMN1; SMN2 4259/4885RAB9A 1424/4885ERN1 3779/4885
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 SMN1; SMN2 3695/4885RAB9A 2959/4885ERN1 3748/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R SMN1; SMN2 4515/4885RAB9A 3163/4885ERN1 3332/4885

“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.