SCHEMBL1177696

SCHEMBL1177696

O=C(CCl)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
HTT P42858 1/20 0.62
NCOA1 Q15788 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
MAPK1 P28482 2/20 0.60
CYP3A4 P08684 1/20 0.60
MME P08473 3/20 0.54
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 3/20 0.51
RPS6KA5 O75582 1/20 0.51
RPS6KA4 O75676 1/20 0.51
PRKACA P17612 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
IRAK1 P51617 1/20 0.51
PRKX P51817 1/20 0.51
PRKG1 Q13976 1/20 0.51
PKN2 Q16513 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL4344248 0.88 MAPK1 (0.66) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL4230149 0.87 PPARG (0.51) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL18577119 0.85 ROCK2 (0.54) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL1177475 0.85 ROCK2 (0.54) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9068996 0.85 MME (0.73) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL1177054 0.84 HTT (0.51) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL15670498 0.84 ALDH1A1 (0.59) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL17138022 0.84 ALDH1A1 (0.59) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL1177213 0.84 LMNA (0.46) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL25159733 0.83 MAPK1 (0.60) MAPK1CYP3A4MMEROCK2ROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 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-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 ALDH1A1 1901/4885HTT 1259/4885NCOA1 883/4885

“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.