SCHEMBL22397206

SCHEMBL22397206

CCOC(=O)C(O)c1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
FFAR1 O14842 2/20 0.42
CASP1 P29466 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
APP P05067 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL2011901 0.85 APP (0.48) SLC6A2SLC6A4SLC6A3FFAR1PSEN1
SCHEMBL31410551 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3FFAR1PSEN1
SCHEMBL31198109 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3FFAR1PSEN1
SCHEMBL31198080 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3FFAR1PSEN1
SCHEMBL10914361 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CASP1SMN1; SMN2
SCHEMBL10914355 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CASP1SMN1; SMN2
SCHEMBL31410641 0.79 PPARA (0.39) SLC6A2SLC6A4SLC6A3FFAR1SMN1; SMN2
SCHEMBL1932881 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3FFAR1PSEN1
SCHEMBL29743262 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3FFAR1PSEN1
SCHEMBL28017230 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3FFAR1PSEN1

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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 US disclosed
EP-3704091-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP 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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 SLC6A2 1702/4885SLC6A4 1953/4885SLC6A3 3305/4885

“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.