SCHEMBL21940985

SCHEMBL21940985

CCCC(C)(C)N1CCC(NC(=O)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.36
SSTR4 P31391 11/20 0.36
PKM P14618 1/20 0.36
SSTR1 P30872 4/20 0.36
EPHX2 P34913 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
SCHEMBL20466511 0.88 ALDH1A1 (0.42) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL23992266 0.83 ALDH1A1 (0.41) ALDH1A1SIGMAR1EPHX2
SCHEMBL21940455 0.82 ALDH1A1 (0.42) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL16072937 0.81 ALDH1A1 (0.46) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL24368043 0.80 EPHX1 (0.37) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL9288853 0.76 RECQL (0.50) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL13923527 0.75 ALDH1A1 (0.41) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL12565640 0.75 ALDH1A1 (0.41) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL16072920 0.75 ALDH1A1 (0.41) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL10264869 0.74 SSTR4 (0.48) ALDH1A1PDK1PDK2PDK3PDK4

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-11208655-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2021-12-28 US disclosed
US-20200115709-A1 Functionally-Modified Oligonucleotides And Subunits Thereof JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-04-16 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 (2 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-11208655-B2 Functionally-modified oligonucleotides and subunits thereof RTCB, NSUN3, NSUN2 ALDH1A1 3163/4885PDK1 3963/4885PDK2 4052/4885
US-20200115709-A1 Functionally-Modified Oligonucleotides And Subunits Thereof RTCB, NSUN3, NSUN2 ALDH1A1 3163/4885PDK1 3963/4885PDK2 4052/4885

“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.