SCHEMBL22186143

SCHEMBL22186143

CC(C)c1ccc(OC(F)(F)F)nn1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL21923113 0.80 ENPP2 (0.46) —
SCHEMBL10220140 0.77 NNMT (0.41) ALDH1A1
SCHEMBL22184927 0.74 SMN1; SMN2 (0.39) —
SCHEMBL17562268 0.74 MEN1 (0.34) ALDH1A1
SCHEMBL15999360 0.74 ACACB (0.35) ALDH1A1
SCHEMBL5951002 0.73 CHRNA7 (0.37) —
SCHEMBL22489576 0.72 IDH1 (0.39) PDE2A
SCHEMBL13730829 0.71 KMT2A (0.44) —
SCHEMBL13548218 0.71 HTT (0.42) ALDH1A1
SCHEMBL25220258 0.69 — —

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A ALDH1A1 149/4885PDE2A 1852/4885

“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.

Send feedback