SCHEMBL2819701

SCHEMBL2819701

CC=COC(=O)C1CCC(NOCc2ccccc2)CN1C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.36
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
DPP4 P27487 4/20 0.33
DPP7 Q9UHL4 4/20 0.33
TSHR P16473 2/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL994477 1.00 FKBP1A (0.36) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL16611573 0.88 FKBP1A (0.41) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL16611571 0.88 FKBP1A (0.41) FKBP1APDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL16611804 0.87 FKBP1A (0.41) FKBP1APDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL16611802 0.87 FKBP1A (0.41) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL9949645 0.85 FKBP1A (0.39) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL9949649 0.85 FKBP1A (0.39) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL1248269 0.85 ALDH1A1 (0.42) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL1248266 0.85 ALDH1A1 (0.42) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL1248268 0.85 ALDH1A1 (0.42) PDK1PDK2PDK3PDK4ALDH1A1

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-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES NOVEXEL (FR) 2010-02-25 US disclosed
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES AVENTIS PHARMA S.A. (FR) 2009-08-27 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 (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-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL FKBP1A 2156/4885PDK1 2152/4885PDK2 2625/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL FKBP1A 2156/4885PDK1 2152/4885PDK2 2625/4885

“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.