SCHEMBL3466471

SCHEMBL3466471

CCS(=O)(=O)c1cccc([CH]CC(N)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
PARP1 P09874 2/20 0.33
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PSIP1 O75475 2/20 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
SCHEMBL3465576 0.87 LOX (0.39) CNR2PARP1
SCHEMBL3466761 0.85 PIM1 (0.34)
SCHEMBL3466817 0.83 CNR2 (0.37) CNR2JAK1TYK2PARP1ALDH1A1
SCHEMBL27827208 0.82 PSIP1 (0.36) JAK1TYK2PSIP1
SCHEMBL3129443 0.74 CNR2 (0.37) CNR2JAK1TYK2PARP1ALDH1A1
SCHEMBL3928945 0.73 CNR2 (0.47) CNR2JAK1TYK2PARP1NPSR1
SCHEMBL3465374 0.73 USP9X (0.39) PARP1ALDH1A1
SCHEMBL15157687 0.73 TGFBR1 (0.47) ALDH1A1
SCHEMBL3466915 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3465074 0.71 CA2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CNR2 54/4885JAK1 892/4885TYK2 1592/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CNR2 46/4885JAK1 1079/4885TYK2 1160/4885

“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.