SCHEMBL6676723

SCHEMBL6676723

COC(=O)c1cc(C)ccc1S(=O)(=O)c1ccc(C[C@@H](C)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CDK1 P06493 1/20 0.41
CNR1 P21554 2/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
RECQL P46063 1/20 0.38
SLC6A4 P31645 1/20 0.38
BMP1 P13497 1/20 0.37
NR4A2 P43354 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6809238 0.82 CNR1 (0.46) CA2CDK1CNR1GAATP53
SCHEMBL6679267 0.81 CNR2 (0.46) CA2CNR1KDM4EPOLBMAPT
SCHEMBL6676486 0.80 SLC6A4 (0.46) CNR1KDM4EALDH1A1HPGDTP53
SCHEMBL6679407 0.79 SLC6A2 (0.43) CA2KDM4EALDH1A1HPGDTP53
SCHEMBL6676569 0.79 CA2 (0.38) CA2KDM4EL3MBTL1
SCHEMBL6677794 0.77 ADRB3 (0.57)
SCHEMBL6677793 0.77 ADRB3 (0.57)
SCHEMBL6804926 0.77 CA2 (0.36) CA2KDM4ETHRBMAPTL3MBTL1
SCHEMBL6680578 0.76 HPGD (0.42) GAAKDM4EALDH1A1HPGDTP53
SCHEMBL6682518 0.75 MMP2 (0.43) ALDH1A1NPSR1L3MBTL1

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 696/4885CDK1 3897/4885CNR1 112/4885

“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.