SCHEMBL4627979

SCHEMBL4627979

CC(C)(CO)NCC(O)c1cc(O)cc(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.72
HIF1A Q16665 4/20 0.72
CYP3A4 P08684 4/20 0.72
LMNA P02545 3/20 0.72
KMT2A Q03164 3/20 0.72
TSHR P16473 3/20 0.72
CASP7 P55210 2/20 0.72
CYP2C9 P11712 1/20 0.72
MEN1 O00255 2/20 0.62
BLM P54132 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CASP1 P29466 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ADRA1A P35348 2/20 0.54
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
MAPK1 P28482 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP2D6 P10635 1/20 0.48
HSD17B10 Q99714 1/20 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
SCHEMBL11745594 0.88 ADRB2 (0.74) ADRB2HIF1ACYP3A4LMNAKMT2A
SCHEMBL11750805 0.85 ADRB2 (0.70) ADRB2HIF1ACYP3A4LMNAKMT2A
Terbutaline SCHEMBL41869 0.84 LMNA (1.00) ADRB2HIF1ACYP3A4LMNAKMT2A
Terbutaline SCHEMBL4391 0.84 LMNA (1.00) ADRB2HIF1ACYP3A4LMNAKMT2A
Terbutaline SCHEMBL13327959 0.84 LMNA (1.00) ADRB2HIF1ACYP3A4LMNAKMT2A
SCHEMBL11304829 0.83 ADRB2 (0.51) ADRB2HIF1ACYP3A4LMNAKMT2A
SCHEMBL9481583 0.83 ADRB2 (0.62) ADRB2HIF1ACYP3A4LMNAKMT2A
Terbutaline SCHEMBL404480 0.82 ADRB2 (0.96) ADRB2HIF1ACYP3A4LMNAKMT2A
Terbutaline SCHEMBL11703058 0.82 ADRB2 (0.96) ADRB2HIF1ACYP3A4LMNAKMT2A
SCHEMBL31490615 0.79 ADRB2 (0.66) ADRB2HIF1ACYP3A4LMNAKMT2A

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-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 131/4885HIF1A 1202/4885CYP3A4 2963/4885

“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.