SCHEMBL4884008

SCHEMBL4884008

CC(C)(CO)NCC(O)c1ccc(O)c(S(C)(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.59
PMP22 Q01453 1/20 0.55
ADRB2 P07550 7/20 0.54
ADRB1 P08588 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL11670586 0.88 PMP22 (0.66) ADRB3PMP22ADRB2ADRB1CYP1A2
SCHEMBL11670211 0.87 ADRB2 (0.63) ADRB3PMP22ADRB2ADRB1
Hydrochloric Acid SCHEMBL11671078 0.86 PMP22 (0.64) ADRB3PMP22ADRB2ADRB1CYP1A2
SCHEMBL11271070 0.86 PMP22 (0.68) ADRB3PMP22ADRB2ADRB1CYP1A2
SCHEMBL4761715 0.85 ADRB1 (0.51) ADRB3PMP22ADRB2ADRB1CYP1A2
SCHEMBL4880117 0.83 ADRB2 (0.61) ADRB3PMP22ADRB2ADRB1CYP1A2
SCHEMBL11670117 0.82 KDM4E (0.64) ADRB3PMP22ADRB2ADRB1CYP1A2
SCHEMBL11670188 0.80 ADRB3 (0.67) ADRB3PMP22ADRB2ADRB1CYP1A2
SCHEMBL4627149 0.80 ADRB2 (0.79) PMP22ADRB2ADRB1CYP1A2CYP2D6
SCHEMBL11671110 0.77 ADRB2 (0.53) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 US claimed
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 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-20080306162-A1 Treatment of Inflammatory Disorders and Pain HRH3, OPRL1, HRH2 ADRB3 95/4885PMP22 621/4885ADRB2 131/4885

“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.