SCHEMBL25890241

SCHEMBL25890241

CN1C(=O)C(C)(O)c2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
AKR1B1 P15121 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
SRD5A1 P18405 1/20 0.35
RAD52 P43351 1/20 0.34
CTSC P53634 1/20 0.34
NT5E P21589 1/20 0.33
PARK7 Q99497 1/20 0.33
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL25890239 0.87 ALDH1A1 (0.46) ALDH1A1HPGDAKR1B1OPRM1OPRK1
SCHEMBL5986616 0.81 PKM (0.47) ALDH1A1OPRM1OPRK1OPRL1CA1
SCHEMBL14822131 0.80 MAPT (0.44) ALDH1A1HPGDCA1CA2CA7
SCHEMBL25891457 0.78 BACE1 (0.38) ALDH1A1HPGDAKR1B1OPRM1OPRK1
SCHEMBL25890238 0.75 RAD52 (0.55) ALDH1A1HPGDRAD52PKM
SCHEMBL23578330 0.74 CASP3 (0.49) ALDH1A1HPGDCA1CA2CA7
SCHEMBL30183667 0.74 CASP3 (0.49) ALDH1A1HPGDCA1CA2CA7
SCHEMBL38660343 0.74 ALDH1A1 (0.42) ALDH1A1HPGDOPRM1OPRK1OPRL1
SCHEMBL14822121 0.73 BACE1 (0.37) CA1CA2CA7CA9
SCHEMBL24201847 0.72 MEN1 (0.50) OPRM1OPRK1OPRL1PKMPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 US disclosed
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 426/4885HPGD 198/4885AKR1B1 1227/4885

“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.