SCHEMBL568210

SCHEMBL568210

COc1cc(S(C)(=O)=O)ccc1CNC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
APLNR P35414 1/20 0.44
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
STAT6 P42226 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 3/20 0.40
BLM P54132 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL19457212 0.79 SMN1; SMN2 (0.58) SMN1; SMN2TSHRLMNAADRA2ACYP2D6
SCHEMBL712690 0.78 APLNR (0.72) APLNRTSHRTP53ALDH1A1
SCHEMBL3304251 0.77 HDAC3 (0.49) SMN1; SMN2APLNRHTR2BKCNH2POLB
SCHEMBL14025213 0.76 SMN1; SMN2 (0.54) SMN1; SMN2TSHRLMNAADRA2ACYP2D6
Hydrochloric Acid SCHEMBL4916424 0.75 SMN1; SMN2 (0.53) SMN1; SMN2TSHRLMNAADRA2ACYP2D6
SCHEMBL17503932 0.75 APLNR (0.45) SMN1; SMN2APLNRCA12CA1CA2
Benzenesulfonamide SCHEMBL3640561 0.74 APLNR (0.52) APLNRCA12CA1CA2CA4
SCHEMBL14089187 0.74 SLC6A4 (0.55) SMN1; SMN2TSHRLMNAADRA2ACYP2D6
SCHEMBL350875 0.73 ALDH1A1 (0.58) SMN1; SMN2TSHRCYP2D6BLMPOLB
SCHEMBL862980 0.71 POLB (0.73) SMN1; SMN2TSHRLMNACA12CA9

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 1172/4885APLNR 2127/4885TSHR 1193/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 SMN1; SMN2 1334/4885APLNR 2036/4885TSHR 1157/4885

“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.