SCHEMBL3775375

SCHEMBL3775375

COc1ccc(Cc2c(O[C@]3(O)O[C@H](COC(=O)Cc4ccccc4)[C@@H](O)[C@H](O)[C@H]3O)nn(C(C)C)c2C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.40
SLC5A2 P31639 4/20 0.40
HTR2A P28223 1/20 0.31
FPR1 P21462 1/20 0.31
PPARG P37231 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
PTGS2 P35354 2/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL3776668 0.91 SLC5A1 (0.44) SLC5A1SLC5A2HTR2AFPR1PPARG
SCHEMBL3766872 0.90 SLC5A1 (0.42) SLC5A1SLC5A2
SCHEMBL3773315 0.90 SLC5A1 (0.41) SLC5A1SLC5A2
SCHEMBL3771058 0.90 SLC5A1 (0.45) SLC5A1SLC5A2FPR1PTGDR2
SCHEMBL3773516 0.90 SLC5A1 (0.42) SLC5A1SLC5A2
SCHEMBL3770495 0.88 SLC5A1 (0.51) SLC5A1SLC5A2
SCHEMBL3779489 0.88 SLC5A1 (0.45) SLC5A1SLC5A2HTR2A
SCHEMBL3775378 0.86 SLC5A1 (0.56) SLC5A1SLC5A2
SCHEMBL3769375 0.85 SLC5A2 (0.46) SLC5A1SLC5A2
SCHEMBL3769351 0.85 SLC5A1 (0.51) SLC5A1SLC5A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US claimed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 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-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives IAPP, G6PC1, GPR119 SLC5A1 4/4885SLC5A2 6/4885HTR2A 3936/4885
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE SLC5A1, SLC5A2, G6PC1 SLC5A1 1/4885SLC5A2 2/4885HTR2A 2048/4885

“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.