SCHEMBL5346342

SCHEMBL5346342

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nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
SLC13A5 Q86YT5 2/20 0.31
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL315985 1.00 CYP2D6 (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL4329618 0.91 CYP2D6 (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL3258251 0.86 SOAT1 (0.36) TSHRALDH1A1MEN1CYP1A2THRB
Ethylene Glycol SCHEMBL3734256 0.85 CYP2D6 (0.38) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL28324952 0.84 SOAT1 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
1,4-Butanediol SCHEMBL3728797 0.82 CYP4F2 (0.37) CYP2D6TSHRCYP2C19HIF1AALDH1A1
Propylene Glycol SCHEMBL3728972 0.79 TDP1 (0.36) CYP2D6TSHRCYP2C19HIF1AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL3736317 0.79 ALDH1A1 (0.40) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL8068518 0.78 CYP2C19 (0.44) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL1670467 0.78 MEN1 (0.32) ALDH1A1MEN1CYP1A2THRBKMT2A

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-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-15 US claimed
US-7230119-B2 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7230119-B2 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-15 US disclosed
US-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates PNISR, PNMT, GRHPR CYP2D6 1159/4885TSHR 315/4885CYP2C19 1411/4885

“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.