SCHEMBL24997979

SCHEMBL24997979

O=C(CO[C@H]1C[C@@H](OC(F)(F)F)C1)NN1CCC(C(=O)Nc2nc3cc(Cl)ccc3s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ CNR2 P34972 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ NPY5R Q15761 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ACHE P22303 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RIPK1 Q13546 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ATF4 P18848 1/20 0.37

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
SCHEMBL30053203 1.00 CASP3 (0.46) CASP3SENP8SENP7SENP6CNR2
SCHEMBL24997974 0.87 CASP3 (0.49) CASP3SENP8SENP7SENP6CNR2
SCHEMBL30053014 0.87 CASP3 (0.49) CASP3SENP8SENP7SENP6CNR2
SCHEMBL24997967 0.84 SMN1; SMN2 (0.39) CNR2MAPTATF4POLBLMNA
SCHEMBL24997261 0.84 ATF4 (0.43) CASP3SENP8SENP7SENP6MAPT
SCHEMBL30053354 0.84 ATF4 (0.43) CASP3SENP8SENP7SENP6MAPT
SCHEMBL24997943 0.83 NPY5R (0.49) NPY5RATF4USP30
SCHEMBL24997274 0.83 ATF4 (0.43) NPY5RMAPTKMT2AATF4POLB
SCHEMBL24997277 0.80 CASP3 (0.56) CASP3SENP8SENP7SENP6CNR2
SCHEMBL24998170 0.78 ATF4 (0.58) CASP3SENP8SENP7SENP6ATF4

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 CASP3 4442/4885SENP8 1861/4885SENP7 3733/4885

“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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