SCHEMBL7091444

SCHEMBL7091444

CCCCCCNC(=O)N1CCC(S(=O)(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1.Cc1ccsc1C(=O)N1CCC(S(=O)(=O)c2ccc(CCN)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
ADRB3 P13945 4/20 0.37
ADRB1 P08588 1/20 0.37
LMNA P02545 1/20 0.36
GHSR Q92847 1/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
CA7 P43166 1/20 0.36
NAMPT P43490 1/20 0.35
USP2 O75604 1/20 0.35
SIGLEC9 Q9Y336 1/20 0.34

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
SCHEMBL7092239 0.90 CA2 (0.48) CA1CA2TPSAB1TPSD1TPSG1
SCHEMBL7091373 0.81 GHSR (0.51) MAPK1TPSAB1TPSD1TPSG1ADRB3
SCHEMBL7569340 0.81 GHSR (0.51) MAPK1TPSAB1TPSD1TPSG1ADRB3
SCHEMBL7091421 0.80 CA12 (0.53) CA1CA2ALDH1A1MAPK1TSHR
SCHEMBL7179722 0.80 CA1 (0.42) CA1CA2TPSAB1TPSD1TPSG1
SCHEMBL7144484 0.78 ALDH1A1 (0.51) CA1CA2ALDH1A1MAPK1TSHR
SCHEMBL7243806 0.77 EPHX2 (0.47) MAPK1ADRB3ADRB1NAMPT
SCHEMBL7235601 0.77 EPHX2 (0.47) MAPK1ADRB3ADRB1NAMPT
SCHEMBL7091709 0.74 ADRB3 (0.59) CA1CA2ALDH1A1MAPK1TPSAB1
SCHEMBL7092200 0.74 ALDH1A1 (0.47) ALDH1A1MAPK1TSHRNAMPTUSP2

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 CA1 4874/4885CA2 2958/4885ALDH1A1 725/4885

“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.