SCHEMBL2169716

SCHEMBL2169716

CS(=O)(=O)c1cc(CNC(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
KCNH2 Q12809 1/20 0.47
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KLKB1 P03952 1/20 0.38
MAP4K1 Q92918 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL2169564 0.83 POLB (0.40) CCR1KCNH2GAASMN1; SMN2POLB
SCHEMBL3439346 0.81 BRD9 (0.47) CCR1KCNH2NAMPTL3MBTL1
SCHEMBL13732053 0.79 GAA (0.47) GAASMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL21436555 0.77 SMARCA2 (0.43) GAASMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL1870856 0.76 CCR1 (0.40) CCR1KCNH2ALDH1A1POLBCYP1A2
SCHEMBL17507869 0.76 GAA (0.44) GAASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL13180198 0.75 NOS3 (0.50) CCR1KCNH2SMN1; SMN2LMNAALDH1A1
SCHEMBL2644511 0.75 CCR1 (0.36) CCR1KCNH2SMN1; SMN2ALDH1A1HTT
SCHEMBL3126015 0.75 GABRP (0.42) CCR1KCNH2LMNAALDH1A1POLB
SCHEMBL23795900 0.74 LOXL2 (0.50) KCNH2GAAALDH1A1HSD17B10NAMPT

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 6 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
EP-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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 1/4885KCNH2 3909/4885GAA 3761/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCR1 1/4885KCNH2 4067/4885GAA 4085/4885

“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.