SCHEMBL19575923

SCHEMBL19575923

C[C@H]1C[C@@](N)(C(=O)O)CC1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 7/20 0.50
▸ GRM6 O15303 6/20 0.50
▸ CYP1A2 P05177 4/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ GRM8 O00222 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GRM2 Q14416 8/20 0.40
▸ GRM3 Q14832 8/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ PLCB1 Q9NQ66 1/20 0.39

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
SCHEMBL15257505 0.77 — —
SCHEMBL12744370 0.77 — —
SCHEMBL25492036 0.74 GRM4 (0.50) GRM4GRM6CYP1A2CYP2C19ALOX15
SCHEMBL15060220 0.74 — —
SCHEMBL15057785 0.69 — —
SCHEMBL31028980 0.68 GRM4 (0.54) GRM4GRM6CYP1A2CYP2C19ALOX15
SCHEMBL31028978 0.68 GRM4 (0.54) GRM4GRM6CYP1A2CYP2C19ALOX15
SCHEMBL25492047 0.67 GRM4 (0.58) GRM4GRM6CYP1A2CYP2C19ALOX15
SCHEMBL25492075 0.67 GRM4 (0.58) GRM4GRM6CYP1A2CYP2C19ALOX15
SCHEMBL1063416 0.67 CYP1A2 (1.00) GRM4GRM6CYP1A2CYP2C19ALOX15

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-20170319536-A1 Arginase Inhibitors and Their Therapeutic Applications Oncoarendi Therapeutics S.A. (PL) 2017-11-09 — — 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-20170319536-A1 Arginase Inhibitors and Their Therapeutic Applications ARG1, ARG2, ARGLU1 GRM4 2596/4885GRM6 1782/4885CYP1A2 1210/4885

“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.

Send feedback