SCHEMBL6679273

SCHEMBL6679273

COC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA1 P00915 2/20 0.46
POLB P06746 1/20 0.44
ESRRA P11474 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
GNRHR P30968 1/20 0.41
SFRP1 Q8N474 1/20 0.41
NAMPT P43490 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6693485 0.87 CA2 (0.47) CA2CA1NAMPT
SCHEMBL6680831 0.85 POLB (0.44) CA2CA1POLBALDH1A1HPGD
SCHEMBL6676358 0.84 CA2 (0.44) CA2CA1ALDH1A1GAAKMT2A
SCHEMBL6267991 0.84 KMT2A (0.55) CA2CA1ESRRAALDH1A1MEN1
SCHEMBL6676099 0.83 CA2 (0.54) CA2CA1NAMPT
SCHEMBL6269080 0.83 HTR6 (0.50) POLBESRRAALDH1A1HPGDPTPN2
SCHEMBL6273559 0.82 PTPN2 (0.44) CA2CA1PTPN2PTPN1PTPN6
SCHEMBL25300742 0.79 MTNR1A (0.56) POLBALDH1A1NAMPTMTNR1AMTNR1B
SCHEMBL30517507 0.79 MTNR1A (0.56) POLBALDH1A1NAMPTMTNR1AMTNR1B
SCHEMBL6682136 0.79 POLB (0.45) POLBALDH1A1MEN1GAAKMT2A

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 2 patents. 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CA2 696/4885CA1 2450/4885POLB 972/4885

“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.