SCHEMBL3400364

SCHEMBL3400364

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nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
PREP P48147 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
SCHEMBL3310723 1.00 CTSS (0.34) CTSSCTSKCA1CA2CA7
SCHEMBL3400359 1.00 CTSS (0.34) CTSSCTSKCA1CA2CA7
SCHEMBL12484953 0.87 NOS1 (0.31) CTSSCTSKNOS1NOS3NOS2
SCHEMBL12485083 0.82 CTSS (0.38) CTSSCTSKNOS1NOS3NOS2
SCHEMBL12484364 0.80 NOS1 (0.33) CTSSCTSKCA1CA2CA7
SCHEMBL14968296 0.80 NOS1 (0.33) CTSSCTSKCA1CA2CA7
SCHEMBL24217635 0.80 CYP2D6 (0.37) CTSSCTSKNOS1NOS3NOS2
SCHEMBL15411838 0.78 CTSS (0.32) CTSSCTSKCA1CA2CA7
SCHEMBL28079855 0.78 CTSS (0.32) CTSSCTSKCA1CA2CA7
SCHEMBL1439238 0.78 SMN1; SMN2 (0.41) CA7CA12CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 EP disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR CTSS 1139/4885CTSK 1004/4885CA1 1561/4885

“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.