SCHEMBL6541541

SCHEMBL6541541

COC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N(Cc3ccccc3)C[C@@H](O)c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
CXCR3 P49682 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
OPRK1 P41145 5/20 0.40
OPRM1 P35372 2/20 0.40
ADRB3 P13945 1/20 0.40
NR3C1 P04150 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL6541539 1.00 MAPT (0.48) MAPTTP53ALDH1A1CYP1A2CYP3A4
SCHEMBL6539107 0.89 MAPT (0.41) MAPTTP53ALDH1A1CYP3A4CYP2C9
SCHEMBL6539110 0.89 MAPT (0.41) MAPTTP53ALDH1A1CYP3A4CYP2C9
SCHEMBL10812044 0.83 ADRB3 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19ADRB3
SCHEMBL6541187 0.83 MAPT (0.49) MAPTTP53ALDH1A1CYP1A2CYP2C9
SCHEMBL6541179 0.83 MAPT (0.49) MAPTTP53ALDH1A1CYP1A2CYP2C9
SCHEMBL6540712 0.82 TP53 (0.51) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL6540707 0.82 TP53 (0.51) MAPTTP53CYP1A2CYP3A4CYP2C9
SCHEMBL6541336 0.78 ADRB3 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6541342 0.78 ADRB3 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR

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 4502/4885TP53 3788/4885ALDH1A1 188/4885

“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.