SCHEMBL4070908

SCHEMBL4070908

Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.71
ALDH1A1 P00352 3/20 0.71
EPHX2 P34913 1/20 0.56
POLB P06746 1/20 0.50
PNMT P11086 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
THRB P10828 1/20 0.45
RAB9A P51151 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
SCHEMBL31143638 0.83 LMNA (0.71) LMNAALDH1A1EPHX2PNMTCA1
SCHEMBL31143673 0.83 ALDH1A1 (0.71) LMNAALDH1A1POLBPNMTCA1
SCHEMBL31143809 0.83 LMNA (0.71) LMNAALDH1A1EPHX2POLBPNMT
SCHEMBL19807188 0.83 LMNA (1.00) LMNAALDH1A1PNMTCA1CA2
SCHEMBL812701 0.83 LMNA (0.71) LMNAALDH1A1EPHX2PNMTCA1
SCHEMBL4066303 0.81 ALDH1A1 (0.56) LMNAALDH1A1EPHX2POLBPNMT
SCHEMBL3324196 0.81 LMNA (0.68) LMNAALDH1A1EPHX2PNMTMMP1
SCHEMBL21310019 0.81 LMNA (0.68) LMNAALDH1A1EPHX2POLBPNMT
SCHEMBL21310016 0.80 ALDH1A1 (0.66) LMNAALDH1A1EPHX2POLBPNMT
SCHEMBL19808295 0.80 LMNA (0.70) LMNAALDH1A1PNMTCA1CA2

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
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
US-6638921-B1 Pharmaceutically acceptable derivatives thereof Cx, R1 and R2 being as defined in the disclosure may be used to inhibit the activity of HIV integrase. PHARMACOR INC. (CA) 2003-10-28 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 LMNA 3472/4885ALDH1A1 207/4885EPHX2 989/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 LMNA 4090/4885ALDH1A1 554/4885EPHX2 1727/4885

“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.