SCHEMBL3466828

SCHEMBL3466828

CC(C)Nc1cc([CH]CC(N)=O)cc(S(C)(=O)=O)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
BACE1 P56817 1/20 0.31
GLP1R P43220 1/20 0.31
LRRK2 Q5S007 3/20 0.31
CSF1R P07333 1/20 0.31
PDGFRA P16234 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3465679 0.86 BPTF (0.33)
SCHEMBL28793828 0.84 PTGS2 (0.37) PTGS2BACE1GLP1R
SCHEMBL3465922 0.78 GLP1R (0.32) GLP1R
SCHEMBL3464568 0.75
SCHEMBL3465331 0.75 LMNA (0.41) MAPK1
SCHEMBL27827212 0.74 FPR2 (0.32)
SCHEMBL567866 0.73
SCHEMBL569092 0.73
SCHEMBL3465567 0.70 ALDH1A1 (0.32) MAPK1
SCHEMBL3465208 0.69 NNMT (0.36)

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 PTGS2 2200/4885BACE1 4767/4885GLP1R 707/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 PTGS2 367/4885BACE1 4113/4885GLP1R 3587/4885

“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.