SCHEMBL568458

SCHEMBL568458

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.40
PIK3CG P48736 6/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
APLNR P35414 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP11B2 P19099 1/20 0.33
CCR1 P32246 1/20 0.33
ENPP2 Q13822 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
FYN P06241 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
SCHEMBL3465101 0.85 APLNR (0.52) PIK3CGPIK3CDAPLNR
SCHEMBL799288 0.85 GPR55 (0.42) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3464429 0.82 GAA (0.35) APLNR
SCHEMBL3466093 0.81 CCR1 (0.38) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3465080 0.81 CCR1 (0.38) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL805076 0.79 GPR55 (0.39) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2398918 0.78 CCR1 (0.43) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3466773 0.78 CCR1 (0.43) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL2398909 0.77 CCR1 (0.43) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12264494 0.76 CCR1 (0.42) GPR55PIK3CGPIK3CDPIK3CAPIK3CB

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 9 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
EP-2655371-B1 PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-02-25 EP disclosed
US-8546442-B2 Pyrazolopiperidine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 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 (4 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 GPR55 78/4885PIK3CG 4598/4885PIK3CD 4069/4885
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 GPR55 81/4885PIK3CG 4622/4885PIK3CD 4363/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 GPR55 465/4885PIK3CG 3407/4885PIK3CD 3284/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 GPR55 85/4885PIK3CG 4433/4885PIK3CD 3810/4885

“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.