SCHEMBL3465576

SCHEMBL3465576

CS(=O)(=O)c1cccc([CH]CC(N)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.39
MBOAT4 Q96T53 1/20 0.33
CNR2 P34972 1/20 0.31
PARP1 P09874 1/20 0.31
PIM1 P11309 1/20 0.30
CBLB Q13191 1/20 0.30
HTT P42858 1/20 0.30
MTNR1A P48039 1/20 0.30
LMNA P02545 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
SCHEMBL3466471 0.87 CNR2 (0.35) CNR2PARP1
SCHEMBL3466761 0.86 PIM1 (0.34) PIM1LMNA
SCHEMBL3465642 0.81 LOX (0.39) LOXMBOAT4CNR2CBLB
SCHEMBL27827228 0.80 LOX (0.41) LOXMBOAT4
SCHEMBL3465374 0.74 USP9X (0.39) PARP1PIM1LMNA
SCHEMBL15157687 0.74 TGFBR1 (0.47) MTNR1A
SCHEMBL2561780 0.73 LOX (0.40) LOXMBOAT4
SCHEMBL31577547 0.73 LOX (0.40) LOXMBOAT4
SCHEMBL3121446 0.73 MBOAT4 (0.45) LOXMBOAT4CNR2PARP1CBLB
SCHEMBL28298080 0.72 LOX (0.39) LOXMBOAT4

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 LOX 3862/4885MBOAT4 4636/4885CNR2 54/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 LOX 1735/4885MBOAT4 4854/4885CNR2 46/4885

“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.