SCHEMBL4067788

SCHEMBL4067788

CC(=O)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
RECQL P46063 1/20 0.67
LMNA P02545 3/20 0.66
ALDH1A1 P00352 2/20 0.62
GFER P55789 1/20 0.62
CYP3A4 P08684 2/20 0.60
TSHR P16473 1/20 0.60
GRM4 Q14833 1/20 0.60
HPGD P15428 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL4067862 0.98 KMT2A (0.69) KMT2AMEN1SMN1; SMN2KDM4ERECQL
SCHEMBL19090237 0.97 KMT2A (0.68) KMT2AMEN1SMN1; SMN2KDM4ERECQL
Bicarbonate SCHEMBL15226101 0.96 KMT2A (0.66) KMT2AMEN1SMN1; SMN2KDM4ERECQL
SCHEMBL12508044 0.94 KMT2A (0.64) KMT2AMEN1SMN1; SMN2KDM4ERECQL
SCHEMBL4072349 0.94 MEN1 (0.72) KMT2AMEN1SMN1; SMN2KDM4ERECQL
SCHEMBL14501013 0.83 KMT2A (0.58) KMT2AMEN1SMN1; SMN2KDM4ELMNA
SCHEMBL1912299 0.81 NAMPT (0.64) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6385159 0.81 GFER (0.68) KMT2AMEN1SMN1; SMN2KDM4ELMNA
SCHEMBL6385157 0.81 GFER (0.68) KMT2AMEN1SMN1; SMN2KDM4ELMNA
SCHEMBL6385155 0.81 GFER (0.68) KMT2AMEN1SMN1; SMN2KDM4ELMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801582-A Novel dihydro pteridinone derivative, preparing method thereof and application to medicine 合肥工业大学 2016-07-27 CN disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A KMT2A 1872/4885MEN1 3593/4885SMN1; SMN2 3431/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 KMT2A 3314/4885MEN1 4611/4885SMN1; SMN2 2771/4885

“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.