SCHEMBL31452074

SCHEMBL31452074

C=CCOCC(c1ccc([C@H](C)NC(=O)C(F)(F)F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TACR1 P25103 2/20 0.40
▸ ACACB O00763 4/20 0.36
▸ ATM Q13315 1/20 0.36
▸ F13A1 P00488 2/20 0.35
▸ TGM2 P21980 2/20 0.35
▸ TGM1 P22735 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ TEAD1 P28347 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP3A5 P20815 1/20 0.34
▸ GLS O94925 1/20 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
SCHEMBL31452023 0.87 MAPT (0.41) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL31452104 0.85 MAPT (0.40) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL31452046 0.85 HTT (0.41) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL20289586 0.85 MAPT (0.45) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL21378569 0.85 MAPT (0.45) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL19700725 0.85 MAPT (0.45) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL20289632 0.84 MAPT (0.44) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL20289382 0.81 MAPT (0.42) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL19700717 0.81 ALDH1A1 (0.47) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL22186807 0.81 ALDH1A1 (0.47) MAPTNPC1ALDH1A1MAPK1HTT

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-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-02-13 — — 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-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 IDH1, IDH2, IDH3A MAPT 2534/4885NPC1 2057/4885ALDH1A1 709/4885

“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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