SCHEMBL4071745

SCHEMBL4071745

O=[N+]([O-])c1ccccc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
THRB P10828 1/20 0.47
CYP19A1 P11511 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL31143680 0.82 HDAC3 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL15892111 0.82 MEN1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL31143718 0.80 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1LMNA
SCHEMBL31143675 0.77 ALDH1A1 (0.51) KMT2AALDH1A1LMNAGAASMN1; SMN2
SCHEMBL31143732 0.77 ALDH1A1 (0.51) KMT2AALDH1A1LMNAMAPTTHRB
SCHEMBL4066656 0.77 LMNA (0.51) CA1CA2KMT2AALDH1A1LMNA
SCHEMBL31143759 0.75 ALDH1A1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL34473725 0.75 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL8866289 0.74 SIGMAR1 (0.56) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL3360266 0.73 KDM1A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2SIGMAR1

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
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-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 CA1 1565/4885CA2 1676/4885MMP1 3342/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 CA1 4390/4885CA2 3337/4885MMP1 4510/4885

“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.