SCHEMBL568631

SCHEMBL568631

CS(=O)(=O)Nc1ccc(CNC=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH7 P40394 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
KEAP1 Q14145 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL27491316 0.80 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL13538978 0.79 HPGD (0.74) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL8763196 0.78 ADH1B (0.76) ALDH1A1LMNAADH1BADH1CADH1A
SCHEMBL1752455 0.78 HPGD (0.66) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL1752456 0.78 HPGD (0.66) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL2206733 0.78 HPGD (0.66) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL5716360 0.78 KDM4E (0.66) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL568156 0.78 ADH1B (0.53) ADH1BADH1CADH1AADH7EPHX2
SCHEMBL6014610 0.77 HPGD (1.00) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL25176117 0.76 SMN1; SMN2 (0.58) KDM4EALDH1A1LMNAHPGDHTT

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
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM4E 2535/4885ALDH1A1 523/4885LMNA 4848/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM4E 2530/4885ALDH1A1 570/4885LMNA 4838/4885

“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.