SCHEMBL22669294

SCHEMBL22669294

O=C(COc1ccc2c(c1)OC(F)(F)O2)NCC[C@H](O)CNC(=O)COc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.41
PTPRE P23469 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL20999342 0.94 ALDH1A1 (0.47) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL22669451 0.91 KDM4E (0.43) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL22669316 0.90 HPGD (0.43) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL20999692 0.90 HPGD (0.43) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL22669466 0.90 ATF4 (0.45) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL20999683 0.90 ATF4 (0.45) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL22669310 0.87 KMT2A (0.49) KDM4EGAAALDH1A1HPGDADAMTS5
SCHEMBL20999782 0.84 KDM4E (0.54) KDM4EGAAADAMTS5KMT2AMEN1
SCHEMBL22669066 0.84 ATF4 (0.45) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL22669409 0.82 LMNA (0.47) KDM4EGAAALDH1A1ADAMTS5KMT2A

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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 KDM4E 4646/4885GAA 2139/4885ALDH1A1 3433/4885

“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.