SCHEMBL1767769

SCHEMBL1767769

CC(C)[Si](OCc1cc(Br)ccc1Cl)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.38
SLC6A4 P31645 3/20 0.37
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
PYCR1 P32322 1/20 0.34
HTR6 P50406 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.33
MC4R P32245 1/20 0.32

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
SCHEMBL25216222 0.84 HTR2A (0.35) CCR5SLC6A4HTR2AKCNH2HPGD
SCHEMBL2130493 0.79
SCHEMBL25261513 0.77 ALDH1A1 (0.43) HPGDALDH1A1MEN1TSHRKMT2A
SCHEMBL195484 0.76 SLC6A4 (0.36) CCR5SLC6A4HTR2AKCNH2HPGD
SCHEMBL2600167 0.76 S1PR1 (0.31)
SCHEMBL30622246 0.75 HPGD (0.44) CCR5SLC6A4HTR2AKCNH2HPGD
SCHEMBL2870657 0.75 HPGD (0.44) CCR5SLC6A4HTR2AKCNH2HPGD
SCHEMBL15280194 0.75 KDM4A (0.37) SLC6A4HTR2AKCNH2ALDH1A1KMT2A
SCHEMBL28034244 0.75 SLC6A4 (0.41) CCR5SLC6A4HTR2AKCNH2HPGD
SCHEMBL4808009 0.75 ALDH1A1 (0.38) CCR5SLC6A4HTR2AKCNH2HPGD

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
US-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 US disclosed
US-9439902-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9439901-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9371303-B2 Diphenylmethane derivatives as SGLT2 inhibitors GREEN CROSS CORPORATION (KR) 2016-06-21 US disclosed
US-9308204-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-04-12 US disclosed
US-20150152075-A1 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS GREEN CROSS CORPORATION (KR) 2015-06-04 US disclosed
US-9034921-B2 Diphenylmethane derivatives as SGLT2 inhibitors GREEN CROSS CORPORATION (KR) 2015-05-19 US disclosed
US-20150065565-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-20150065512-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 US disclosed
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2013-08-29 US disclosed
US-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same GREEN CROSS CORPORATION (KR) 2013-04-11 US disclosed
US-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same GREEN CROSS CORPORATION (KR) 2013-04-11 US disclosed
EP-2496583-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2012-09-12 EP disclosed
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. 2012-07-19 US disclosed
US-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-04-26 US disclosed
WO-2011159067-A2 THIAZOLE DERIVATIVES AS SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2011-12-22 WO disclosed
WO-2011051864-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2011-05-05 WO disclosed
WO-2010147430-A2 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2010-12-23 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 (9 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-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same SLC5A2, SLC5A1, SLC10A2 CCR5 3071/4885SLC6A4 114/4885HTR2A 2456/4885
US-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME SLC5A2, SLC5A1, SLC2A2 CCR5 2742/4885SLC6A4 110/4885HTR2A 2091/4885
US-20150065512-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 CCR5 1794/4885SLC6A4 82/4885HTR2A 860/4885
US-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 CCR5 1428/4885SLC6A4 4877/4885HTR2A 4841/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 CCR5 1428/4885SLC6A4 4877/4885HTR2A 4841/4885
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 CCR5 1794/4885SLC6A4 82/4885HTR2A 860/4885
US-20150065565-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 CCR5 1794/4885SLC6A4 82/4885HTR2A 860/4885
US-20150152075-A1 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS SLC5A2, SLC5A1, SLC2A8 CCR5 4095/4885SLC6A4 97/4885HTR2A 938/4885
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 CCR5 1794/4885SLC6A4 82/4885HTR2A 860/4885

“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.