SCHEMBL24718261

SCHEMBL24718261

O=C(NCC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ COMT P21964 1/20 0.36

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
SCHEMBL24718416 0.85 TP53 (0.46) P2RX7SIRT2SIRT1TMPRSS4ALDH1A1
SCHEMBL24718382 0.85 TP53 (0.46) P2RX7SIRT2SIRT1TMPRSS4ALDH1A1
SCHEMBL24718672 0.85 ALDH1A1 (0.49) P2RX7TMPRSS4ALDH1A1NPC1
SCHEMBL24718263 0.85 ALDH1A1 (0.49) P2RX7TMPRSS4ALDH1A1NPC1
SCHEMBL24718241 0.85 TP53 (0.46) P2RX7SIRT2SIRT1TMPRSS4ALDH1A1
SCHEMBL24718258 0.85 ALDH1A1 (0.49) P2RX7TMPRSS4ALDH1A1NPC1
SCHEMBL24718842 0.83 ALDH1A1 (0.47) ALDH1A1NPC1CCR2
SCHEMBL24718433 0.80 CRHR1 (0.41) P2RX7SIRT2SIRT1CCR2
SCHEMBL24718281 0.79 TP53 (0.46) P2RX7SIRT2SIRT1EPHX2PPARG
SCHEMBL24718829 0.76 HDAC11 (0.42) P2RX7SIRT2SIRT1TMPRSS4EPHX2

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-20220363633-A1 SUBSTITUTED PYRROLIDONES AND PIPERIDONES AS SMALL MOLECULE INHIBITORS OF EZH2 AND EED PROTEIN BINDING UNITED STATES GOVERNMENT 2022-11-17 — — 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-20220363633-A1 SUBSTITUTED PYRROLIDONES AND PIPERIDONES AS SMALL MOLECULE INHIBITORS OF EZH2 AND EED PROTEIN BINDING EED, EZH2, ELP1 P2RX7 4354/4885SIRT2 943/4885SIRT1 864/4885

“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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