SCHEMBL25460824

SCHEMBL25460824

CNC(=O)C(C)(C)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ CES2 O00748 3/20 0.39
▸ CES1 P23141 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ ABCC9 O60706 1/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ KCNJ8 Q15842 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
Hydrochloric Acid SCHEMBL29273262 0.83 HDAC4 (0.43) GAAPDK1PDK2PDK3PDK4
SCHEMBL25460803 0.80 GAA (0.41) GAAPDK1PDK2PDK3PDK4
SCHEMBL25460829 0.79 GAA (0.47) GAAPDK1PDK2PDK3PDK4
SCHEMBL25260705 0.78 CES2 (0.43) GAAPDK1PDK2PDK3PDK4
SCHEMBL12585680 0.78 CES2 (0.43) GAAPDK1PDK2PDK3PDK4
SCHEMBL25464172 0.78 SSTR4 (0.44) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL25304324 0.77 KCNN4 (0.41) GAAPDK1PDK2PDK3PDK4
SCHEMBL3861716 0.76 MAPT (0.50) CES2CES1BCHEMAPTKMT2A
SCHEMBL25260011 0.74 CES2 (0.40) GAAPDK1PDK2PDK3PDK4
SCHEMBL25460782 0.73 KCNN4 (0.50) CES2CES1RAB9AABCC9ABCC8

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 1883/4885PDK1 1840/4885PDK2 2856/4885

“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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