SCHEMBL3465366

SCHEMBL3465366

CC[C@@H](N)c1cc(S(C)(=O)=O)cn1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.33
LOXL3 P58215 1/20 0.33
PTGS2 P35354 3/20 0.31
DRD2 P14416 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
SCHEMBL3465325 0.78 ALDH1A1 (0.33) BRD4PTGS2
SCHEMBL3465326 0.77 BRD4 (0.34) BRD4
SCHEMBL568357 0.75 RAPGEF4 (0.42)
SCHEMBL7041627 0.67 G6PD (0.38) BRD4PTGS2
SCHEMBL16232127 0.67 SLC6A4 (0.50) LOXL2PTGS2
SCHEMBL16232128 0.67 SLC6A4 (0.50) LOXL2PTGS2
SCHEMBL16225231 0.67 SLC6A4 (0.50) LOXL2PTGS2
SCHEMBL3465510 0.67
Hydrochloric Acid SCHEMBL1186552 0.66 SLC6A4 (0.48) LOXL2PTGS2
SCHEMBL3465304 0.66 CA2 (0.38) LOXL2LOXL3

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 BRD4 751/4885LOXL2 3029/4885LOXL3 2957/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 BRD4 884/4885LOXL2 1706/4885LOXL3 2198/4885

“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.