SCHEMBL3589904

SCHEMBL3589904

CC(C)(C)c1cc(-c2nc(C3CCN(C(=O)Cn4cnc5ncccc54)CC3)cs2)cc(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.37
RXFP1 Q9HBX9 1/20 0.35
CPT1A P50416 9/20 0.34
CPT1B Q92523 4/20 0.34
CPT2 P23786 4/20 0.34
SCN9A Q15858 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
F2 P00734 1/20 0.32
GRM5 P41594 2/20 0.32

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
SCHEMBL3576355 0.87 CXCR3 (0.50) CXCR3
SCHEMBL13031279 0.85 RXFP1 (0.36) CXCR3RXFP1F2
SCHEMBL3583159 0.85 CXCR3 (0.38) CXCR3CPT1ACPT1BCPT2SCN9A
SCHEMBL3579769 0.85 CXCR3 (0.38) CXCR3CPT1ACPT1BSCN9AF2
SCHEMBL14496194 0.81 RXFP1 (0.35) CXCR3RXFP1F2
SCHEMBL3593336 0.81 MC4R (0.39) CXCR3CPT1AUSP2TSHRF2
SCHEMBL3576128 0.79 CXCR3 (0.45) CXCR3
SCHEMBL3584366 0.79 CXCR3 (0.50) CXCR3
SCHEMBL3595230 0.79 RORC (0.36) CPT1ACPT1BCPT2SCN9A
SCHEMBL3589593 0.79 LMNA (0.40) CXCR3CPT1ACPT2USP2TSHR

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 CXCR3 1/4885RXFP1 359/4885CPT1A 1947/4885

“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.