SCHEMBL3465738

SCHEMBL3465738

NC(=O)c1cccc(S(N)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 11/20 0.39
CA1 P00915 10/20 0.39
CNR2 P34972 1/20 0.38
HTR2B P41595 1/20 0.37
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL3465950 0.83 PIM1 (0.42) PIM1KDM4EALOX15TSHRACMSD
SCHEMBL3928945 0.80 CNR2 (0.47) PIM1KDM4EALOX15TSHRACMSD
SCHEMBL21962368 0.79 MAPT (0.47) CA2CA1CA12CA9CA14
SCHEMBL31475656 0.79 MAPT (0.47) CA2CA1CA12CA9CA14
SCHEMBL3465590 0.79 CNR2 (0.40) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL29587789 0.79 TSHR (0.59) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL229425 0.79 TSHR (0.59) PIM1KDM4EALOX15TSHRACMSD
SCHEMBL30812958 0.79 GNE (0.60) KDM4ETSHRCA2CA1CNR2
Pyridine Dicarboxamide SCHEMBL38659131 0.77 TSHR (0.56) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL29501171 0.77 TSHR (0.56) PIM1KDM4EALOX15TSHRACMSD

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 PIM1 4774/4885KDM4E 2535/4885ALOX15 858/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 PIM1 4486/4885KDM4E 4454/4885ALOX15 254/4885

“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.