SCHEMBL25460802

SCHEMBL25460802

CNC(=O)C(C)(C)c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.40
▸ CES1 P23141 2/20 0.40
▸ RIPK1 Q13546 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ AR P10275 1/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 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
SCHEMBL25262844 0.80 CES2 (0.44) CES2CES1RIPK1GAAAR
SCHEMBL25464108 0.80 TAS1R3 (0.47) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL25460829 0.79 GAA (0.47) CES2CES1RIPK1GAAHDAC3
SCHEMBL13448610 0.74 MEN1 (0.49) CES2CES1GAAHTTHDAC3
SCHEMBL25460822 0.74 AKR1C3 (0.44) CES2CES1RIPK1HTTHDAC3
SCHEMBL25460782 0.72 KCNN4 (0.50) CES2CES1HTTHDAC3HDAC1
SCHEMBL25460803 0.72 GAA (0.41) CES2CES1RIPK1GAAHDAC3
SCHEMBL25303983 0.72 FBP1 (0.43) RIPK1HTTMEN1KMT2ALMNA
SCHEMBL29009876 0.71 AR (0.43) CES2CES1RIPK1HTTAR
SCHEMBL798016 0.71 CA3 (0.42) CES2CES1RIPK1GAAHTT

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 CES2 4245/4885CES1 3884/4885RIPK1 784/4885

“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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