SCHEMBL2056733

SCHEMBL2056733

COC(=O)C(=O)C(Cl)c1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
POLB P06746 1/20 0.38
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.34
GLS O94925 1/20 0.34
CTSA P10619 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30775076 0.87 MEN1 (0.44) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL269778 0.87 MEN1 (0.44) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL984272 0.86 POLB (0.37) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL5085041 0.84 CES2 (0.45) CES2CES1POLBBCHEMEN1
SCHEMBL1339823 0.77 SMN1; SMN2 (0.41) POLBGAASMN1; SMN2
SCHEMBL269842 0.77 POLB (0.45) POLBKMT2A
SCHEMBL28361570 0.76 CES2 (0.50) CES2CES1BCHEALDH1A1GLS
SCHEMBL28090481 0.76 CES2 (0.50) CES2CES1BCHEALDH1A1GLS
SCHEMBL1340424 0.76 GAA (0.36) MEN1KMT2AALDH1A1LMNACTSA
SCHEMBL983510 0.76 CYP1A2 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CES2 1968/4885CES1 1404/4885POLB 4816/4885

“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.