SCHEMBL4375489

SCHEMBL4375489

Cc1ccc(S(=O)(=O)OCCOCCc2cccc(Cl)c2)cc1.ClCCOCCc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
PGR P06401 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
PTGER1 P34995 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL8206287 0.88 LMNA (0.46) LMNASMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL11207479 0.83 LMNA (0.44) LMNASMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL6204944 0.83 ALDH1A1 (0.46) LMNAALDH1A1CA12CA1CA9
SCHEMBL15941260 0.83 ALDH1A1 (0.46) LMNAALDH1A1CA12CA1CA9
SCHEMBL13711768 0.82 SIGMAR1 (0.44) LMNASMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL3884644 0.80 CNR2 (0.46) LMNAALDH1A1CA12CA1CA9
SCHEMBL18530411 0.79 ALDH1A1 (0.45) ALDH1A1CA12CA1CA9
SCHEMBL18289526 0.79 CYP19A1 (0.50) CA12CA1CA9CYP19A1
SCHEMBL3889869 0.78 TAAR1 (0.53) CHRM2CHRM1CHRM3TAAR1
SCHEMBL8993345 0.78 LMNA (0.50) LMNASMN1; SMN2ALDH1A1MAPTPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A LMNA 853/4885SMN1; SMN2 4328/4885CHRM2 11/4885

“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.