SCHEMBL3465320

SCHEMBL3465320

C[CH]c1cncc(S(N)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.53
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
CA2 P00918 11/20 0.34
CA1 P00915 10/20 0.34
CA9 Q16790 10/20 0.33
CA12 O43570 7/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CA3 P07451 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA4 P22748 2/20 0.33
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
PLA2G7 Q13093 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
KMT2A Q03164 2/20 0.31
CDK2 P24941 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
SCHEMBL13368201 0.82 APLNR (0.55) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL3466366 0.81 APLNR (0.50) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL29110465 0.81 APLNR (0.53) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL14159420 0.79 APLNR (0.52) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL11690551 0.79 APLNR (0.71) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL3465097 0.78 APLNR (0.55) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL3465684 0.78 APLNR (0.46) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL31028721 0.74 APLNR (0.59) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL5149401 0.74 APLNR (0.59) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL3465378 0.73 APLNR (0.49) APLNRPIK3CDPIK3CGCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 APLNR 2127/4885PIK3CD 4069/4885PIK3CG 4598/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 APLNR 2724/4885PIK3CD 3284/4885PIK3CG 3407/4885

“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.