SCHEMBL7092239

SCHEMBL7092239

CCCCCCCCNC(=O)N1CCC(S(=O)(=O)c2ccc(CCN)cc2)CC1.CCCCCCCCNC(=O)N1CCC(S(=O)(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.48
CA1 P00915 8/20 0.48
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
GHSR Q92847 2/20 0.43
ADRB3 P13945 4/20 0.42
ADRB1 P08588 1/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
NAMPT P43490 1/20 0.41
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL7091444 0.90 CA1 (0.40) CA2CA1TPSAB1TPSD1TPSG1
SCHEMBL7091373 0.90 GHSR (0.51) TPSAB1TPSD1TPSG1GHSRADRB3
SCHEMBL7569340 0.90 GHSR (0.51) TPSAB1TPSD1TPSG1GHSRADRB3
SCHEMBL7179722 0.87 CA1 (0.42) CA2CA1TPSAB1TPSD1TPSG1
SCHEMBL7243806 0.83 EPHX2 (0.47) ADRB3ADRB1NAMPTMMP1MMP3
SCHEMBL7235601 0.83 EPHX2 (0.47) ADRB3ADRB1NAMPTMMP1MMP3
SCHEMBL7091709 0.83 ADRB3 (0.59) CA2CA1TPSAB1TPSD1TPSG1
SCHEMBL7092216 0.80 ADRB3 (0.48) CA2CA1TPSAB1TPSD1TPSG1
Formic Acid SCHEMBL7091936 0.76 TPSAB1 (0.48) CA2CA1TPSAB1TPSD1TPSG1
Formic Acid SCHEMBL7097100 0.75 ADRB3 (0.55) CA2CA1TPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 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 (1 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 CA2 2958/4885CA1 4874/4885TPSAB1 596/4885

“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.