SCHEMBL1346262

SCHEMBL1346262

COc1cc(CN)cc(S(C)(=O)=O)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
LOX P28300 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
KCNH2 Q12809 1/20 0.33
GLP1R P43220 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.31
HTR6 P50406 1/20 0.31
POLB P06746 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
Hydrochloric Acid SCHEMBL2170231 0.83 LMNA (0.42) SMN1; SMN2LMNALOXLOXL2PTGS2
SCHEMBL1349272 0.79 GLP1R (0.34) SMN1; SMN2LMNALOXGLP1RHTR6
SCHEMBL1348689 0.77 ALDH1A1 (0.38) SMN1; SMN2LMNALOXLOXL2L3MBTL1
SCHEMBL3691082 0.75 LMNA (0.55) SMN1; SMN2LMNAL3MBTL1KMT2ATSHR
SCHEMBL8658127 0.75 SMN1; SMN2 (0.55) SMN1; SMN2LMNAL3MBTL1PTGS2KMT2A
SCHEMBL1346260 0.72 LMNA (0.47) SMN1; SMN2LMNATSHRALDH1A1KDM4E
SCHEMBL3465468 0.72 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2ATSHRKCNH2
SCHEMBL3439355 0.72 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPTGS2KMT2ATSHR
SCHEMBL28026807 0.72 LMNA (0.55) SMN1; SMN2LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL5360302 0.72 LMNA (0.78) SMN1; SMN2LMNAL3MBTL1PTGS2KMT2A

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
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-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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 SMN1; SMN2 1172/4885LMNA 4848/4885LOX 3862/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 SMN1; SMN2 411/4885LMNA 3632/4885LOX 1735/4885

“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.