SCHEMBL17916

SCHEMBL17916

CCOc1ccc(Cc2cc(Br)ccc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 4/20 0.52
SLC5A1 P13866 3/20 0.52
DHFR P00374 1/20 0.47
NQO1 P15559 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
KAT6A Q92794 1/20 0.40
CACNA1C Q13936 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
ADAM17 P78536 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
CCR5 P51681 1/20 0.37

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
SCHEMBL181059 0.84 L3MBTL1 (0.45) SMN1; SMN2ALDH1A1MAPTMEN1HTT
SCHEMBL18418928 0.84 DHFR (0.46) SLC5A2SLC5A1DHFRNQO1SMN1; SMN2
SCHEMBL37829 0.83 SLC5A2 (0.51) SLC5A2SLC5A1DHFRNQO1SMN1; SMN2
SCHEMBL28191188 0.82 DHFR (0.50) DHFRNQO1SMN1; SMN2LMNAKDM4E
SCHEMBL29386304 0.82 SLC5A2 (0.53) SLC5A2SLC5A1ALDH1A1MAPTGAA
SCHEMBL2871388 0.82 SLC5A2 (0.52) SLC5A2SLC5A1DHFRNQO1SMN1; SMN2
SCHEMBL1456830 0.82 DHFR (0.43) SLC5A2SLC5A1DHFRNQO1SMN1; SMN2
SCHEMBL38150 0.82 SLC5A2 (0.53) SLC5A2SLC5A1ALDH1A1MAPTGAA
SCHEMBL17073877 0.81 DHFR (0.43) SLC5A2SLC5A1DHFRNQO1SMN1; SMN2
SCHEMBL1539273 0.81 SLC5A2 (0.53) SLC5A2SLC5A1DHFRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001213-B C-aryl glycoside derivative, pharmaceutical composition, preparation method and application thereof 上海迪诺医药科技有限公司 2020-08-28 CN disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
WO-2015158206-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 上海迪诺医药科技有限公司 2015-10-22 WO disclosed
EP-1845095-B1 1-THIO-D-GLUCITOL DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2011-09-07 EP disclosed
CN-102149717-A Dioxa-bicyclo [3.2.1] octane-2, 3, 4-triol derivatives PFIZER 2011-08-10 CN disclosed
EP-2334687-A1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2011-06-22 EP disclosed
US-20110098469-A1 1-THIO-D-GLUCITOL DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-28 US disclosed
US-7910619-B2 e.g. 2,3,4,6-tetra-O-benzyl-5-thio-D-glucono-1,5-lactone3,4-Dihydro-2H-pyran; inhibit the activity of sodium-dependent glucose cotransporter 2 (SGLT2) concerned with glucose reabsorption in the kidney; antidiabetic agent; diabetes-related disease, or diabetic complication TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
WO-2010023594-A1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2010-03-04 WO disclosed
US-20100056618-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC 2010-03-04 US disclosed
US-20080132563-A1 1-Thio-D-Glucitol Derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-06-05 US disclosed
CN-101103013-A 1-thio-D-glucitol derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2008-01-09 CN disclosed
EP-1845095-A1 1-THIO-D-GLUCITOL DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-10-17 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 (4 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-20100056618-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 SLC5A2 1/4885SLC5A1 2/4885DHFR 2833/4885
US-20110098469-A1 1-THIO-D-GLUCITOL DERIVATIVES SLC5A1, SLC5A2, SLC5A11 SLC5A2 2/4885SLC5A1 1/4885DHFR 835/4885
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 SLC5A2 1/4885SLC5A1 2/4885DHFR 4312/4885
US-20080132563-A1 1-Thio-D-Glucitol Derivatives SLC5A1, SLC5A2, SLC5A11 SLC5A2 2/4885SLC5A1 1/4885DHFR 835/4885

“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.