SCHEMBL3581986

SCHEMBL3581986

Cc1ncc(CO)n1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
TBXAS1 P24557 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APEX1 P27695 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13031138 0.79 LMNA (0.43) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL14005999 0.72 POLB (0.66) POLBALDH1A1THRBTSHRMAPK1
SCHEMBL6800734 0.72 GAA (0.40) ALDH1A1LMNAKDM4EHPGDAPEX1
Trifluoroacetic Acid SCHEMBL3586461 0.71 LMNA (0.37) ALDH1A1LMNAKDM4EHPGDEGFR
SCHEMBL10920623 0.71 MAPK1 (0.65) POLBALDH1A1LMNATHRBTSHR
SCHEMBL859147 0.69
SCHEMBL2789865 0.66 CYP2C19 (0.58) POLBLMNATSHRKDM4EMEN1
SCHEMBL7394370 0.63 KDM4E (0.54) POLBALDH1A1LMNATHRBMAPK1
SCHEMBL7452530 0.63 LMNA (0.42) ALDH1A1LMNAKDM4EHPGDAPEX1
SCHEMBL3740763 0.63 PTGS2 (0.59) ALDH1A1LMNATSHRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 POLB 4548/4885ALDH1A1 971/4885LMNA 4877/4885

“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.