SCHEMBL3587587

SCHEMBL3587587

CC(C)(C)c1cc(SC(F)(F)F)cc(-c2nc(C3CCNCC3)cs2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAT P00750 6/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
EP300 Q09472 2/20 0.30
TLR9 Q9NR96 2/20 0.30
TLR8 Q9NR97 2/20 0.30
TLR7 Q9NYK1 2/20 0.30
MAP3K12 Q12852 1/20 0.30
C1S P09871 1/20 0.30

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
SCHEMBL3575940 0.86 PLAT (0.42) PLATMEN1POLBKMT2AGABRA1
SCHEMBL13031213 0.80 PLAT (0.32) PLATMEN1POLBKMT2AGABRA1
SCHEMBL3583375 0.79 GABRA1 (0.43) PLATGABRA1GABRG2GABRB3EP300
SCHEMBL3588524 0.79 HTR2C (0.44) PLATMEN1POLBKMT2AMAP3K12
SCHEMBL3588162 0.74 PTGS1 (0.41) PLAT
SCHEMBL3576329 0.73 MEN1 (0.57) PLATMEN1POLBKMT2ATLR7
SCHEMBL3634136 0.72 TRPC3 (0.34) MEN1KMT2A
SCHEMBL3580316 0.72 PTGS2 (0.43) PLATMEN1KMT2AGABRA1GABRG2
SCHEMBL3579884 0.72 MAPT (0.41)
SCHEMBL3581758 0.72 SHMT1 (0.32) POLB

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 1 patent. 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

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 PLAT 2714/4885MEN1 4848/4885POLB 4548/4885

“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.