SCHEMBL2179397

SCHEMBL2179397

CCC(OC[C@@H](C)CO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
OR51E2 Q9H255 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
SCHEMBL27625813 0.81 SMN1; SMN2 (0.38) SMN1; SMN2TSHR
SCHEMBL31634401 0.75 SMN1; SMN2 (0.37) SMN1; SMN2MAPTPPARA
Propylene Glycol SCHEMBL15323711 0.74 KDM4E (0.33)
SCHEMBL2316570 0.73 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL9843858 0.73
SCHEMBL10768520 0.73
SCHEMBL447796 0.73
SCHEMBL2557758 0.72 SMN1; SMN2 (0.38) SMN1; SMN2PPARGPPARA
SCHEMBL19821808 0.72 TSHR (0.40) TSHR
SCHEMBL14996288 0.72 SMN1; SMN2 (0.40) SMN1; SMN2PPARGPPARA

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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP SMN1; SMN2 3096/4885TSHR 4547/4885MAPT 4386/4885

“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.