SCHEMBL4627149

SCHEMBL4627149

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

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.79
ADRB1 P08588 3/20 0.79
CYP1A2 P05177 1/20 0.79
CYP2D6 P10635 1/20 0.79
TSHR P16473 1/20 0.79
NFKB1 P19838 1/20 0.79
HIF1A Q16665 1/20 0.79
TDP1 Q9NUW8 1/20 0.77
PMP22 Q01453 1/20 0.70

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
SCHEMBL11743993 0.91 ADRB2 (0.79) ADRB2ADRB1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL11744001 0.90 TDP1 (0.80) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL6701896 0.90 ADRB2 (0.77) ADRB2ADRB1CYP1A2CYP2D6TSHR
Levosalbutamol SCHEMBL29361075 0.88 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR
Albuterol SCHEMBL2489838 0.88 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR
Albuterol SCHEMBL4913 0.88 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR
(S)-Albuterol SCHEMBL29496690 0.88 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR
Albuterol SCHEMBL121596 0.88 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR
Albuterol SCHEMBL122805 0.88 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR
Levosalbutamol SCHEMBL4003 0.88 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR

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 4 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
EP-1896393-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-03-12 EP disclosed
WO-2007003896-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-01-11 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-20080306162-A1 Treatment of Inflammatory Disorders and Pain HRH3, OPRL1, HRH2 ADRB2 131/4885ADRB1 198/4885CYP1A2 2106/4885

“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.