SCHEMBL24997943

SCHEMBL24997943

O=C(CO[C@H]1C[C@@H](OC(F)(F)F)C1)NN1CCC(C(=O)Nc2nc3cc(Cl)ccc3o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.49
▸ USP30 Q70CQ3 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.42
▸ PTGES O14684 16/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ ATF4 P18848 1/20 0.40

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
SCHEMBL24997364 0.87 PTGES (0.43) NPY5RUSP30ANO1PTGESPTGS2
SCHEMBL30053549 0.87 PTGES (0.43) NPY5RUSP30ANO1PTGESPTGS2
SCHEMBL24997979 0.83 CASP3 (0.46) NPY5RUSP30ATF4
SCHEMBL30053203 0.83 CASP3 (0.46) NPY5RUSP30ATF4
SCHEMBL24997967 0.83 SMN1; SMN2 (0.39) ATF4
SCHEMBL30053354 0.83 ATF4 (0.43) ATF4
SCHEMBL24997261 0.83 ATF4 (0.43) ATF4
SCHEMBL24997274 0.82 ATF4 (0.43) NPY5RATF4
SCHEMBL24997309 0.81 ATF4 (0.42) PTGESATF4
SCHEMBL30054170 0.81 ATF4 (0.42) PTGESATF4

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-20230042881-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2023-02-09 — — 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-20230042881-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, ATF1, DDIT3 NPY5R 1318/4885USP30 2633/4885ANO1 4814/4885

“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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