SCHEMBL12808186

SCHEMBL12808186

O=C(NCc1ccc(OC(F)(F)F)cc1)c1sccc1OC1OC(CO)C(F)C(O)C1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.40
▸ EPHX2 P34913 3/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ HTR2C P28335 3/20 0.38
▸ PPARG P37231 2/20 0.36
▸ SLC5A2 P31639 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC5A1 P13866 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ AKR1C3 P42330 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
SCHEMBL13088381 0.90 SLC5A1 (0.45) SLC5A2ALDH1A1HPGDSLC5A1
SCHEMBL13254155 0.82 SLC5A2 (0.54) SLC5A2ALDH1A1HPGDSLC5A1
SCHEMBL13098422 0.81 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL13088373 0.81 SLC5A2 (0.41) SLC5A2SLC5A1
SCHEMBL3684207 0.78 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL13553060 0.73 SLC28A3 (0.53) SLC5A2SLC5A1
SCHEMBL4618592 0.73 SLC5A2 (0.49) SLC5A2SLC5A1
SCHEMBL12757467 0.73 SLC5A2 (0.49) SLC5A2SLC5A1
SCHEMBL12808164 0.71 SLC5A1 (0.54) SLC5A2HPGDSLC5A1
SCHEMBL13553066 0.71 SLC5A1 (0.54) SLC5A2HPGDSLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SANOFI (FR) 2012-10-25 — — US disclosed
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SANOFI (FR) 2012-10-25 — — US disclosed
WO-2011039338-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI-AVENTIS (FR) 2011-04-07 — — WO disclosed
US-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-10-14 — — US disclosed
US-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-10-14 — — US 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-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof UGGT1, SLC5A2, SLC5A1 PPARA 565/4885EPHX2 1476/4885PPARD 392/4885
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SLC5A1, SLC5A2, SOST PPARA 495/4885EPHX2 4052/4885PPARD 395/4885

“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.

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