SCHEMBL3466830

SCHEMBL3466830

CC[C@H](N)c1cc(NC(C)C)nc(S(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
GLP1R P43220 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
BRD4 O60885 2/20 0.31
PTGS1 P23219 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
SCHEMBL3465682 0.86 HTR6 (0.35)
SCHEMBL569093 0.79 FPR2 (0.31)
SCHEMBL569089 0.77 GLP1R (0.34) GLP1R
SCHEMBL27845932 0.77 GLP1R (0.34) GLP1R
SCHEMBL3439355 0.74 SMN1; SMN2 (0.44) PTGS2
SCHEMBL3464571 0.74 HRH4 (0.30) HRH4
SCHEMBL28793828 0.74 PTGS2 (0.37) PTGS2GLP1RBACE1BRD4
Hydrochloric Acid SCHEMBL568565 0.73 SMN1; SMN2 (0.42)
SCHEMBL3465209 0.72 NUDT1 (0.37)
SCHEMBL3465973 0.69 CCR1 (0.38) HRH4

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 2200/4885GLP1R 707/4885L3MBTL1 4281/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 PTGS2 367/4885GLP1R 3587/4885L3MBTL1 4336/4885

“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.