SCHEMBL1683045

SCHEMBL1683045

O=C(CCNCCc1cccc(F)c1)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.53
SMYD2 Q9NRG4 4/20 0.48

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
Sulfuric Acid SCHEMBL3044295 0.95 ADRB2 (0.57) ADRB2SMYD2
SCHEMBL1683019 0.94 ADRB2 (0.58) ADRB2SMYD2
SCHEMBL2209783 0.93 ADRB2 (0.59) ADRB2SMYD2
SCHEMBL524144 0.93 ADRB2 (0.59) ADRB2SMYD2
Bromide SCHEMBL1682997 0.93 ADRB2 (0.59) ADRB2SMYD2
SCHEMBL2212570 0.93 ADRB2 (0.60) ADRB2SMYD2
SCHEMBL1683056 0.92 ADRB2 (0.53) ADRB2SMYD2
SCHEMBL2210692 0.87 SMYD2 (0.52) ADRB2SMYD2
SCHEMBL2213469 0.87 SMYD2 (0.52) ADRB2SMYD2
SCHEMBL2213235 0.86 ADRB2 (0.62) ADRB2SMYD2

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
EP-2303266-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20100144606-A1 COMBINATION 408 ASTRAZENECA AB (SE) 2010-06-10 US disclosed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 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-20100144606-A1 COMBINATION 408 NR3C2, PTGER2, LTB4R2 ADRB2 51/4885SMYD2 2482/4885

“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.