SCHEMBL3575795

SCHEMBL3575795

CCn1ccn(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)CC2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CPT1A P50416 6/20 0.32
CPT2 P23786 3/20 0.31
CPT1B Q92523 2/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC7 Q9HCX4 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3581033 0.91 TP53 (0.36) CPT1ACPT2CPT1BTRPC3TRPC7
SCHEMBL3579063 0.87 GRIN2B (0.34) GRIN1GRIN2BSMN1; SMN2TLR9TLR8
SCHEMBL3592264 0.87 CPT1A (0.33) GRIN1GRIN2BCPT1ACPT2CPT1B
SCHEMBL3582566 0.87 GRIN2B (0.33) RORCGRIN1GRIN2BCPT1ACPT2
SCHEMBL3589486 0.86 GRIN2B (0.43) GRIN1GRIN2B
SCHEMBL3590376 0.86 TRPC3 (0.41) CPT1ACPT2TRPC3TRPC7LMNA
SCHEMBL3576053 0.85 PIN1 (0.43) NPC1RAB9ASMN1; SMN2CPT1ACPT2
SCHEMBL3588606 0.85 CPT1A (0.44) CPT1ACPT2CPT1B
SCHEMBL3581616 0.84 MAPK1 (0.41) SMN1; SMN2LMNA
SCHEMBL3591786 0.84 CPT1A (0.37) NPC1RAB9ASMN1; SMN2CPT1ACPT2

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-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

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 RORC 85/4885GRIN1 571/4885GRIN2B 584/4885

“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.