SCHEMBL20021640

SCHEMBL20021640

C[C@@H]1C[C@@H](O)C[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.40
GABRR2 P28476 1/20 0.34
GRM2 Q14416 3/20 0.34
PPP5C P53041 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GRM3 Q14832 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
APEX1 P27695 1/20 0.32
GRM5 P41594 1/20 0.32
PMP22 Q01453 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL13503580 1.00 GABRR1 (0.40) GABRR1GABRR2GRM2PPP5CATM
SCHEMBL11905774 1.00 GABRR1 (0.40) GABRR1GABRR2GRM2PPP5CATM
SCHEMBL19857434 1.00 GABRR1 (0.40) GABRR1GABRR2GRM2PPP5CATM
SCHEMBL5500131 0.84 GABRR1 (0.48) GABRR1GABRR2GRM2PPP5CLMNA
SCHEMBL7722913 0.84 GABRR1 (0.48) GABRR1GABRR2GRM2PPP5CLMNA
SCHEMBL10441953 0.84 GABRR1 (0.48) GABRR1GABRR2GRM2PPP5CLMNA
SCHEMBL2869805 0.83 GABRR1 (0.39) GABRR1GABRR2GRM2PPP5CATM
SCHEMBL17803105 0.83 GABRR1 (0.39) GABRR1GABRR2GRM2PPP5CATM
SCHEMBL2869807 0.83 GABRR1 (0.39) GABRR1GABRR2GRM2PPP5CATM
SCHEMBL20625191 0.83 GABRR1 (0.39) GABRR1GABRR2GRM2PPP5CATM

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-20180093943-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2018-04-05 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-20180093943-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV CTRC, HAVCR2, HGFAC GABRR1 3940/4885GABRR2 4213/4885GRM2 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.