SCHEMBL3465684

SCHEMBL3465684

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.46
CA2 P00918 14/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 9/20 0.33
CA9 Q16790 8/20 0.33
CA12 O43570 5/20 0.33
CA7 P43166 5/20 0.33
TSHR P16473 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
TLR8 Q9NR97 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL3466366 0.88 APLNR (0.50) APLNRCA2SMN1; SMN2CA1CA9
SCHEMBL3465551 0.85 PIK3CG (0.33) PIK3CDPIK3CG
SCHEMBL3466134 0.81 TNNI3K (0.38) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL3465206 0.80 APLNR (0.46) APLNRCA2CA1CA9CA12
SCHEMBL13368201 0.79 APLNR (0.55) APLNRCA2CA1CA9CA12
SCHEMBL3465320 0.78 APLNR (0.53) APLNRCA2CA1CA9CA12
SCHEMBL3465378 0.76 APLNR (0.49) APLNRCA2CA1CA9CA12
SCHEMBL29110465 0.74 APLNR (0.53) APLNRCA2CA1CA9CA12
SCHEMBL14159420 0.73 APLNR (0.52) APLNRCA2CA1CA9CA12
SCHEMBL28790641 0.73 PSIP1 (0.36) APLNRCYP2C19

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 2127/4885CA2 2686/4885SMN1; SMN2 1172/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 APLNR 2724/4885CA2 3968/4885SMN1; SMN2 411/4885

“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.