SCHEMBL4479050

SCHEMBL4479050

C[C@H](Cc1ccc(-c2ccc(S(=O)(=O)NC(=O)c3ccccc3)cc2)cc1)N(C[C@@H](O)c1cccnc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 13/20 0.49
ADRB3 P13945 13/20 0.49
PTGS2 P35354 5/20 0.47
EGFR P00533 2/20 0.45
ADRB2 P07550 5/20 0.43
PTGS1 P23219 2/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL4479046 1.00 ADRB1 (0.49) ADRB1ADRB3PTGS2EGFRADRB2
SCHEMBL4459818 0.87 BCL2L1 (0.44) EGFRBCL2L1MCL1
SCHEMBL4459823 0.87 BCL2L1 (0.44) EGFRBCL2L1MCL1
Hydrochloric Acid SCHEMBL4462352 0.83 ADRB1 (0.68) ADRB1ADRB3PTGS2EGFRADRB2
Hydrochloric Acid SCHEMBL4462356 0.83 ADRB1 (0.68) ADRB1ADRB3PTGS2EGFRADRB2
SCHEMBL4462089 0.72 ADRB3 (0.59) ADRB1ADRB3ADRB2
Hydrochloric Acid SCHEMBL4463369 0.71 ADRB1 (0.70) ADRB1ADRB3ADRB2
SCHEMBL4475815 0.68 KDM4E (0.48) ADRB1ADRB3
SCHEMBL4475818 0.68 KDM4E (0.48) ADRB1ADRB3
SCHEMBL25260556 0.67 MMP2 (0.49) ADRB1ADRB3ADRB2

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-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ADRB1 39/4885ADRB3 130/4885PTGS2 3088/4885

“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.