SCHEMBL3466366

SCHEMBL3466366

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
CA2 P00918 15/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
CA1 P00915 10/20 0.33
CA12 O43570 8/20 0.33
CA9 Q16790 7/20 0.33
CA7 P43166 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TSHR P16473 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CA3 P07451 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
SCHEMBL3465684 0.88 APLNR (0.46) APLNRCA2PIK3CDPIK3CGCA1
SCHEMBL28790641 0.84 PSIP1 (0.36) APLNR
SCHEMBL27827231 0.84 PIK3CG (0.35) APLNRPIK3CDPIK3CG
SCHEMBL13368201 0.83 APLNR (0.55) APLNRCA2PIK3CDPIK3CGCA1
SCHEMBL3465320 0.81 APLNR (0.53) APLNRCA2PIK3CDPIK3CGCA1
SCHEMBL3465378 0.80 APLNR (0.49) APLNRCA2PIK3CDPIK3CGCA1
SCHEMBL29110465 0.78 APLNR (0.53) APLNRCA2PIK3CDPIK3CGCA1
SCHEMBL3465206 0.78 APLNR (0.46) APLNRCA2PIK3CDPIK3CGCA1
SCHEMBL14159420 0.76 APLNR (0.52) APLNRCA2PIK3CDPIK3CGCA1
SCHEMBL11690551 0.76 APLNR (0.71) APLNRCA2PIK3CDPIK3CGCA1

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
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
CN-102227425-A Azaindazole compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2011-10-26 CN 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 2127/4885CA2 2686/4885PIK3CD 4069/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 APLNR 2724/4885CA2 3968/4885PIK3CD 3284/4885

“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.