SCHEMBL3589486

SCHEMBL3589486

CCn1ccn(CC(=O)N2CCC(c3csc(-c4cccc(C(F)(F)F)c4)n3)CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.43
GRIN1 Q05586 9/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
TRPA1 O75762 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40

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
SCHEMBL14496017 0.90 CPT1A (0.39) ALDH1A1KDM4E
SCHEMBL3590376 0.90 TRPC3 (0.41) POLBTRPA1
SCHEMBL3584269 0.88 GRIN2B (0.40) GRIN2BGRIN1POLBTRPA1
SCHEMBL3587868 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL3576053 0.88 PIN1 (0.43) ALDH1A1KDM4EHTT
SCHEMBL3575795 0.86 RORC (0.35) GRIN2BGRIN1
SCHEMBL3581033 0.84 TP53 (0.36) HTTTRPA1
SCHEMBL3588606 0.84 CPT1A (0.44)
SCHEMBL3579063 0.83 GRIN2B (0.34) GRIN2BGRIN1POLB
SCHEMBL3581616 0.83 MAPK1 (0.41)

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 claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP 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 GRIN2B 584/4885GRIN1 571/4885ALDH1A1 971/4885

“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.