SCHEMBL3465080

SCHEMBL3465080

CC[C@@H](N)c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
PIK3CG P48736 7/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
GPR55 Q9Y2T6 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
SLC6A4 P31645 1/20 0.33
APLNR P35414 1/20 0.33
FYN P06241 1/20 0.32
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
CYP11B2 P19099 1/20 0.32
LOXL2 Q9Y4K0 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
SCHEMBL3466093 1.00 CCR1 (0.38) CCR1PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL2398918 0.87 CCR1 (0.43) CCR1PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL3466773 0.87 CCR1 (0.43) CCR1PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL568489 0.87 GAA (0.34) SLC6A4APLNR
SCHEMBL3465380 0.87 APLNR (0.47) PIK3CGPIK3CDSLC6A4APLNR
Hydrochloric Acid SCHEMBL2398909 0.86 CCR1 (0.43) CCR1PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL805076 0.81 GPR55 (0.39) CCR1PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL568458 0.81 GPR55 (0.40) CCR1PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL799288 0.77 GPR55 (0.42) CCR1PIK3CGPIK3CBPIK3CDPIK3CA
SCHEMBL12264494 0.75 CCR1 (0.42) CCR1PIK3CGPIK3CBPIK3CDPIK3CA

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 CCR1 1/4885PIK3CG 4598/4885PIK3CB 4434/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCR1 1/4885PIK3CG 3407/4885PIK3CB 2313/4885

“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.