SCHEMBL3439397

SCHEMBL3439397

COc1cnn(S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
RAB9A P51151 1/20 0.42
CD4 P01730 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4993025 0.82 GRM4 (0.51) GRM4MAPTSMN1; SMN2TSHRLMNA
SCHEMBL29493429 0.78 GAA (0.53) GRM4MAPTSMN1; SMN2LMNAMEN1
SCHEMBL2574273 0.78 GRM4 (0.48) GRM4MAPTSMN1; SMN2TSHRLMNA
SCHEMBL422433 0.78 GRM4 (0.48) GRM4MAPTSMN1; SMN2LMNAMEN1
SCHEMBL27463601 0.78 GRM4 (0.51) GRM4MAPTSMN1; SMN2LMNAMEN1
SCHEMBL1278809 0.78 MEN1 (0.54) GRM4MAPTSMN1; SMN2TSHRLMNA
SCHEMBL19859664 0.77 GRM4 (0.51) GRM4TSHRMEN1KMT2AALDH1A1
SCHEMBL2581844 0.76 MAPT (0.62) GRM4MAPTSMN1; SMN2TSHRLMNA
SCHEMBL3439395 0.75 GRM4 (0.46) GRM4MAPTSMN1; SMN2TSHRLMNA
SCHEMBL568158 0.75 GRM4 (0.46) GRM4MAPTSMN1; SMN2TSHRLMNA

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 6 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-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-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 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 (3 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 GRM4 765/4885MAPT 4650/4885SMN1; SMN2 1172/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 GRM4 1446/4885MAPT 4278/4885SMN1; SMN2 411/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 GRM4 859/4885MAPT 4652/4885SMN1; SMN2 1334/4885

“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.