SCHEMBL568849

SCHEMBL568849

COc1cc(CNC=O)ccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 3/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
TP53 P04637 1/20 0.39
IDH1 O75874 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL568349 0.86 L3MBTL1 (0.46) SMN1; SMN2LMNAMAPTCA1CA2
SCHEMBL1486251 0.81 ALDH1A1 (0.60) SMN1; SMN2LMNAMAPTCA1CA2
SCHEMBL567920 0.79 ADH1B (0.41) LMNACA1CA2ADH1BADH1C
SCHEMBL5990841 0.78 HTR7 (0.47) SMN1; SMN2LMNAMAPTALDH1A1POLB
SCHEMBL568729 0.77 L3MBTL1 (0.56) SMN1; SMN2LMNAMAPTCA1CA2
SCHEMBL3310620 0.77 MEN1 (0.46) SMN1; SMN2ALDH1A1ADH1BADH1CADH1A
SCHEMBL30037244 0.77 ALDH1A1 (0.55) LMNAALDH1A1
SCHEMBL2780708 0.77 ALDH1A1 (0.55) LMNAALDH1A1
SCHEMBL5759609 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL5758819 0.76 SMN1; SMN2 (0.46) SMN1; SMN2LMNACA1CA2CA9

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 SMN1; SMN2 1172/4885LMNA 4848/4885MAPT 4650/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 SMN1; SMN2 1334/4885LMNA 4838/4885MAPT 4652/4885

“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.