SCHEMBL25460803

SCHEMBL25460803

CNC(=O)C(C)(C)c1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ CES2 O00748 2/20 0.40
▸ CES1 P23141 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ RIPK1 Q13546 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34

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
SCHEMBL25460829 0.86 GAA (0.47) GAACES2CES1PDK1PDK2
SCHEMBL25460825 0.83 PDK1 (0.42) GAAPDK1PDK2PDK3PDK4
SCHEMBL30501842 0.80 CES2 (0.44) CES2CES1BCHERIPK1BACE1
SCHEMBL1626654 0.80 CES2 (0.44) CES2CES1BCHERIPK1BACE1
SCHEMBL25460824 0.80 GAA (0.44) GAACES2CES1BCHEPDK1
SCHEMBL25464109 0.80 L3MBTL1 (0.44) ALDH1A1RAB9AKDM4E
SCHEMBL25301048 0.79 PLCG1 (0.47) GAACES2CES1BCHERIPK1
SCHEMBL3860550 0.79 KCNN4 (0.46) CES2CES1BCHERIPK1KCNN4
SCHEMBL8571841 0.73 PDK1 (0.40) GAAPDK1PDK2PDK3PDK4
SCHEMBL25460802 0.72 CES2 (0.40) GAACES2CES1RIPK1ALDH1A1

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-20230151074-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. 2023-05-18 — — 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-20230151074-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS GIPR, GLP1R, GCGR GAA 1883/4885CES2 4245/4885CES1 3884/4885

“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.

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