SCHEMBL3465668

SCHEMBL3465668

CS(=O)(=O)c1cc([C@@H](N)CO)ccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.35
CYP3A4 P08684 1/20 0.35
MAP4K4 O95819 2/20 0.33
FYN P06241 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
TNIK Q9UKE5 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
ADRB3 P13945 2/20 0.32
MAPK1 P28482 1/20 0.32
EGFR P00533 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
KCNH2 Q12809 1/20 0.31
KLKB1 P03952 1/20 0.30
MAP4K1 Q92918 1/20 0.30
ANPEP P15144 1/20 0.30
ENPEP Q07075 1/20 0.30
GBA1 P04062 1/20 0.30
PIK3C3 Q8NEB9 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
SCHEMBL3465203 0.88 CCR1 (0.35) CCR1CYP3A4MAP4K4FYNMINK1
SCHEMBL3465658 0.87 CCR1 (0.33) CCR1CYP3A4MAP4K4FYNMINK1
SCHEMBL3465531 0.87 CCR1 (0.33) CCR1CYP3A4MAP4K4FYNMINK1
SCHEMBL3465964 0.87 CCR1 (0.33) CCR1CYP3A4MAP4K4FYNMINK1
SCHEMBL3465973 0.86 CCR1 (0.38) CCR1CYP3A4ADRB3HRH4
SCHEMBL3439409 0.86 CCR1 (0.38) CCR1CYP3A4ADRB3HRH4
SCHEMBL3465836 0.84 CCR1 (0.34) CCR1CYP3A4ADRB3HRH4
Hydrochloric Acid SCHEMBL567868 0.84 CCR1 (0.37) CCR1CYP3A4HRH4
Hydrochloric Acid SCHEMBL27827247 0.84 CCR1 (0.37) CCR1CYP3A4HRH4
SCHEMBL3466110 0.84 CCR1 (0.36) CCR1CYP3A4MAP4K4SCN10AADRB3

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 CCR1 1/4885CYP3A4 2075/4885MAP4K4 4381/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCR1 1/4885CYP3A4 1429/4885MAP4K4 3067/4885

“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.