SCHEMBL5465324

SCHEMBL5465324

CC(Cc1ccc2c(c1)OC(C(=O)O)CO2)NCC(O)c1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.66
ADRB2 P07550 11/20 0.66
ADRB1 P08588 11/20 0.66
ADRA1D P25100 2/20 0.66
ADRA1A P35348 2/20 0.66
ADRA1B P35368 2/20 0.66
ADRA2A P08913 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
ALOX15 P16050 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
SLC2A1 P11166 2/20 0.56
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.51

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
SCHEMBL13959140 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL5458218 0.96 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL7160000 0.96 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL1592821 0.96 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL364457 0.96 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL1770178 0.96 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL15382678 0.96 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL10085311 0.96 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7489762 0.96 ADRB3 (0.65) ADRB3ADRB2ADRB1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7492283 0.96 ADRB3 (0.65) ADRB3ADRB2ADRB1ADRA1DADRA1A

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-20070129435-A1 Pharmaceutical Composition For Treating Stress Incontinence And/Or Mixed Incontinence MICHEL MARTIN 2007-06-07 US disclosed
EP-1703903-A1 PHARMACEUTICAL COMPOSITION FOR TREATING STRESS INCONTINENCE AND/OR MIXED INCONTINENCE Boehringer Ingelheim International GmbH (DE) 2006-09-27 EP disclosed
US-20060004105-A1 Pharmaceutical composition for treating stress incontinence and/or mixed incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 US disclosed
WO-2005046666-A1 PHARMACEUTICAL COMPOSITION FOR TREATING STRESS INCONTINENCE AND/OR MIXED INCONTINENCE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-26 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 (2 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-20070129435-A1 Pharmaceutical Composition For Treating Stress Incontinence And/Or Mixed Incontinence ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885ADRB1 3/4885
US-20060004105-A1 Pharmaceutical composition for treating stress incontinence and/or mixed incontinence ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885ADRB1 3/4885

“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.