SCHEMBL3288516

SCHEMBL3288516

COC(=O)[C@H]1CC[C@@H](CO)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.34
NR1H2 P55055 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 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
SCHEMBL1660231 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1660232 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL351587 0.89 ALDH1A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13163204 0.89 ALDH1A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL351586 0.89 ALDH1A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL351588 0.89 ALDH1A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL351398 0.88 TP53 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL351399 0.88 TP53 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL408809 0.88 TP53 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12055465 0.86 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113473985-A Cyclopentanoic acid as LPA antagonist 百时美施贵宝公司 2021-10-01 CN disclosed
US-7709494-B2 for lowering blood glucose, treating diabetes, or increasing insulin release, hyperglycemia; (1S,3R)-3-(4,5-Diphenylpyrimidin-2-yloxymethyl)cyclohexanecarboxylic acid SANOFI-AVENTIS (DE) 2010-05-04 US disclosed
US-20090149486-A1 4,5-DIPHENYL-PYRIMIDINYL-OXY OR -MERCAPTO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-06-11 US disclosed
EP-0933993-B1 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2006-04-05 EP disclosed
US-6410594-B1 VIRICIDES BIOCRYST PHARMACEUTICALS, INC. 2002-06-25 US disclosed
CN-1227466-A Substituted cyclopentane compounds useful as neuraminidase inhibitors BIOCRYST PHARM INC (US) 1999-09-01 CN 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-20090149486-A1 4,5-DIPHENYL-PYRIMIDINYL-OXY OR -MERCAPTO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SLC5A1, SLC5A2, DPP4 CHRNB2 4805/4885CHRNA4 4372/4885CHRNB4 4482/4885

“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.