SCHEMBL13453031

SCHEMBL13453031

CC[C@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](C)[C@@H]1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ LGALS3 P17931 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41
▸ LMNA P02545 1/20 0.35
▸ PTPN1 P18031 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ SELP P16109 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

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
SCHEMBL25763738 0.90 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL16489270 0.89 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL14586557 0.86 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL18510805 0.86 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12139436 0.86 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL10005364 0.86 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12695651 0.84 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL16491951 0.83 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL18510855 0.80 LGALS9 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL16489271 0.79 POLB (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264925-A1 METHOD FOR PRODUCING PYRAZOLE GLYCOSIDE DERIVATIVES SANOFI (FR) 2012-10-18 — — 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 (1 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-20120264925-A1 METHOD FOR PRODUCING PYRAZOLE GLYCOSIDE DERIVATIVES CYP2F1, CYP4F3, F11 LGALS9 3106/4885LGALS1 1865/4885LGALS3 1545/4885

“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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