SCHEMBL5553440

SCHEMBL5553440

CCC(Nc1nc(Nc2ccc(O)c(I)c2)nc(NC2CCCCCC2)n1)C1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.40
CTSK P43235 4/20 0.40
RAB9A P51151 1/20 0.39
CTSL P07711 2/20 0.38
CTSV O60911 1/20 0.36
PLAT P00750 1/20 0.36
CTSH P09668 1/20 0.36
CASP14 P31944 1/20 0.36
CASP6 P55212 1/20 0.36
CTSZ Q9UBR2 1/20 0.36

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
SCHEMBL6209675 0.91 CTSS (0.31) CTSSCTSKRAB9A
SCHEMBL4838488 0.90 RAB9A (0.39) CTSSCTSKRAB9ACTSLCTSV
SCHEMBL5553533 0.90 RAB9A (0.39) CTSSCTSKRAB9ACTSLCTSV
SCHEMBL5550471 0.88 CTSS (0.42) CTSSCTSKRAB9ACTSL
SCHEMBL5549818 0.88 CTSS (0.39) CTSSCTSKRAB9ACTSLCTSV
SCHEMBL5553462 0.87 IDH2 (0.41) CTSSCTSKRAB9ACTSL
SCHEMBL5553518 0.87 RAB9A (0.37) CTSSCTSKRAB9ACTSL
SCHEMBL5553411 0.86 CTSS (0.38) CTSSCTSKRAB9ACTSLCTSV
SCHEMBL5029060 0.83 RAB9A (0.41) CTSSCTSKRAB9ACTSLCTSV
SCHEMBL6013841 0.81 GALR1 (0.44) CTSSCTSKRAB9ACTSL

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-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 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-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 CTSS 2220/4885CTSK 2933/4885RAB9A 4800/4885

“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.