SCHEMBL6804604

SCHEMBL6804604

C[C@H](Cc1ccc(S(=O)(=O)c2cc(Cl)ccc2C(=O)O)cc1)NC[C@@H](O)c1cccc(Cl)c1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.64
ADRB1 P08588 11/20 0.64
SLC2A1 P11166 3/20 0.59
ADRB2 P07550 11/20 0.58
CYP2D6 P10635 2/20 0.58
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CYP3A4 P08684 1/20 0.57
HIF1A Q16665 1/20 0.57
GLA P06280 1/20 0.55
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6798975 0.93 ADRB3 (0.64) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6691332 0.91 ADRB3 (0.61) ADRB3ADRB1SLC2A1ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6678604 0.91 SLC2A1 (0.60) ADRB3ADRB1SLC2A1ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6678607 0.91 SLC2A1 (0.60) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6677129 0.90 ADRB3 (0.60) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6799764 0.90 ADRB3 (0.60) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6539627 0.89 ADRB3 (0.64) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6677764 0.89 ADRB3 (0.61) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6540095 0.88 ADRB3 (0.66) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6540494 0.88 ADRB3 (0.63) ADRB3ADRB1SLC2A1ADRB2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ADRB3 150/4885ADRB1 39/4885SLC2A1 2444/4885

“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.