SCHEMBL22717263

SCHEMBL22717263

CC(C)C(NC(=O)O)C(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TAS1R2 Q8TE23 3/20 0.32
POLB P06746 1/20 0.31
DPP4 P27487 1/20 0.31
HPGD P15428 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
SCHEMBL4338091 0.83 POLB (0.32) CYP2C19POLBDPP4
SCHEMBL25015671 0.81 ALDH1A1 (0.34) ALDH1A1POLBDPP4
SCHEMBL4346526 0.79 POLB (0.30) POLB
SCHEMBL4340000 0.79 PIK3CD (0.36) CYP2D6CYP2C19POLB
SCHEMBL19305362 0.76 CYP2D6 (0.32) CYP2D6CYP2C19TAS1R3TAS1R1TAS1R2
SCHEMBL18730508 0.75 ALDH1A1 (0.36) CYP2D6CYP2C19ALDH1A1TSHRTAS1R3
SCHEMBL2934387 0.75 ALDH1A1 (0.36) CYP2D6CYP2C19ALDH1A1TSHRTAS1R3
SCHEMBL1583726 0.74 DPP4 (0.37) CYP2D6CYP2C19ALDH1A1TAS1R3TAS1R1
SCHEMBL12538942 0.74 CA1 (0.53) CYP2D6TSHR
SCHEMBL12538941 0.74 CA1 (0.53) CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226298-A1 GPR40 AGONISTS KALLYOPE, INC. 2022-07-21 US disclosed
WO-2020242943-A1 GPR40 AGONISTS KALLYOPE, INC. (US) 2020-12-03 WO 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-20220226298-A1 GPR40 AGONISTS GPR119, GPR65, GLP1R CYP2D6 2098/4885CYP2C19 2187/4885ALDH1A1 1768/4885

“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.