SCHEMBL3465491

SCHEMBL3465491

CNC(=O)C[C@H](N)c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.36
CYP3A4 P08684 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ATM Q13315 1/20 0.33
KCNA5 P22460 1/20 0.32
MAPT P10636 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
KLKB1 P03952 1/20 0.32
MAP4K1 Q92918 1/20 0.32
LARS1 Q9P2J5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CLK1 P49759 1/20 0.31
ADRB3 P13945 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
TNF P01375 1/20 0.31
POLB P06746 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
SCHEMBL3466110 0.85 CCR1 (0.36) CCR1CYP3A4PIK3C3LARS1ADRB3
SCHEMBL3465668 0.80 CCR1 (0.35) CCR1CYP3A4PIK3C3KLKB1MAP4K1
SCHEMBL3439409 0.79 CCR1 (0.38) CCR1CYP3A4ADRB3
SCHEMBL3465973 0.79 CCR1 (0.38) CCR1CYP3A4ADRB3
SCHEMBL3466040 0.78 LMNA (0.35) CCR1CYP3A4ADRB3
SCHEMBL3465203 0.78 CCR1 (0.35) CCR1CYP3A4ADRB3
SCHEMBL3465963 0.78 CCR1 (0.32) CCR1CYP3A4
SCHEMBL3465836 0.77 CCR1 (0.34) CCR1CYP3A4ADRB3
Hydrochloric Acid SCHEMBL567868 0.77 CCR1 (0.37) CCR1CYP3A4
Hydrochloric Acid SCHEMBL27827247 0.77 CCR1 (0.37) CCR1CYP3A4

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 2075/4885PDCD1LG2 559/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCR1 1/4885CYP3A4 1429/4885PDCD1LG2 1170/4885

“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.