SCHEMBL6539110

SCHEMBL6539110

COC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N(Cc3ccccc3)C[C@@H](O)c3ccc(Cl)nc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.39
NAMPT P43490 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRK1 P41145 5/20 0.38
OPRM1 P35372 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
ADRB3 P13945 1/20 0.37
NR3C1 P04150 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6539107 1.00 MAPT (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6541539 0.89 MAPT (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6541541 0.89 MAPT (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6541337 0.84 MAPT (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6541341 0.84 MAPT (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10812044 0.78 ADRB3 (0.52) CYP2C9ADRB3CYP3A4
SCHEMBL6540712 0.77 TP53 (0.51) MAPTCYP2C9TAS2R14ADRB3TP53
SCHEMBL6540707 0.77 TP53 (0.51) MAPTCYP2C9TAS2R14ADRB3TP53
SCHEMBL4464336 0.75 ALDH1A1 (0.43) MAPTALDH1A1KDM4ECYP2C9L3MBTL1
SCHEMBL12863713 0.74 ALDH1A1 (0.72) MAPTALDH1A1KDM4EMEN1KMT2A

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 MAPT 4502/4885ALDH1A1 188/4885KDM4E 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.