SCHEMBL3577646

SCHEMBL3577646

COC(=O)Cn1cnc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
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
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.35
KAT2B Q92831 1/20 0.34
KMT2A Q03164 1/20 0.34
ALPL P05186 2/20 0.33
PLAA Q9Y263 2/20 0.33
DYRK1A Q13627 1/20 0.33
TSHR P16473 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
SCHEMBL13031219 0.84 PTGS2 (0.39) SMN1; SMN2KDM4EALDH1A1ALPLPLAA
Hydrochloric Acid SCHEMBL3592251 0.83 PTGS2 (0.38) SMN1; SMN2KDM4EALDH1A1ALPLPLAA
SCHEMBL2961993 0.81 ALPL (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16853579 0.79 KDM4E (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1800598 0.79 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1711629 0.76 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27747749 0.74 CYP2C9 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27582586 0.73 SMN1; SMN2 (0.52) SMN1; SMN2GAAKDM4ERAB9AHSD17B10
Sulfuric Acid SCHEMBL242791 0.70 CYP2C9 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31006001 0.68 KDM4E (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 3725/4885PSEN2 3975/4885APH1B 3882/4885

“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.