SCHEMBL6540683

SCHEMBL6540683

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
SLC6A2 P23975 1/20 0.37
MEN1 O00255 1/20 0.37
CA4 P22748 1/20 0.37
MAOB P27338 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
SCHEMBL6540373 0.88 CA2 (0.39) CA2TSHRKDM4ELMNAL3MBTL1
SCHEMBL6540641 0.88 CA2 (0.46) CA2TSHRKDM4ELMNAL3MBTL1
SCHEMBL6677922 0.87 CA2 (0.49) CA2TSHRKDM4ELMNAL3MBTL1
SCHEMBL6540106 0.86 KMT2A (0.50) CA2LMNAGAACA12CA1
SCHEMBL6539692 0.86 KMT2A (0.50) CA2LMNAGAACA12CA1
Hydrochloric Acid SCHEMBL6800403 0.86 CA2 (0.48) CA2TSHRKDM4ELMNAL3MBTL1
SCHEMBL6540991 0.83 CA2 (0.53) CA2TSHRLMNAL3MBTL1NPSR1
SCHEMBL6541317 0.83 HTR6 (0.48) CA2TSHRKDM4ELMNAL3MBTL1
SCHEMBL6677650 0.83 CA2 (0.41) CA2TSHRKDM4ELMNAL3MBTL1
SCHEMBL6804977 0.82 CA2 (0.38) CA2TSHRKDM4ELMNAL3MBTL1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CA2 2242/4885TSHR 3667/4885KDM4E 2107/4885

“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.