SCHEMBL3465644

SCHEMBL3465644

C[C@H](N)c1cccc(S(C)(=O)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
IRAK4 Q9NWZ3 6/20 0.35
MBOAT4 Q96T53 1/20 0.34
CHRNA7 P36544 1/20 0.32
CBLB Q13191 2/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL3465534 0.85 CHRNA7 (0.38) IRAK4CHRNA7
SCHEMBL13058479 0.85 LOX (0.40) LOXMBOAT4CHRNA7CBLB
SCHEMBL3466819 0.82 CNR2 (0.36) LOXIRAK4CHRNA7
SCHEMBL3465578 0.81 LOX (0.41) LOXIRAK4MBOAT4
SCHEMBL522063 0.77 CYP1A2 (0.38) IRAK4TAAR1
SCHEMBL5547208 0.77 LOX (0.51) LOXMBOAT4
SCHEMBL30253319 0.72 NOS3 (0.46) LOXMBOAT4
SCHEMBL29073433 0.72 CHRNA7 (0.48) CHRNA7
SCHEMBL24736329 0.70 NOS3 (0.48) IRAK4TAAR1
SCHEMBL4326351 0.70 NOS3 (0.48) IRAK4TAAR1

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 3862/4885IRAK4 548/4885MBOAT4 4636/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 LOX 1735/4885IRAK4 134/4885MBOAT4 4854/4885

“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.