SCHEMBL6541458

SCHEMBL6541458

COC(=O)c1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(C#N)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR3C1 P04150 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.39
TP53 P04637 1/20 0.38
OPRK1 P41145 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LSS P48449 1/20 0.37
CASR P41180 1/20 0.37
MEN1 O00255 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
SCHEMBL6541465 1.00 MAPT (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6539998 0.85 RORC (0.42) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6540005 0.85 RORC (0.42) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6541179 0.83 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6541187 0.83 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6804967 0.81 ADRB3 (0.47)
SCHEMBL6540343 0.81 ADRB1 (0.49) KDM4E
SCHEMBL6540334 0.81 ADRB1 (0.49) KDM4E
SCHEMBL6541341 0.79 MAPT (0.42) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6540284 0.79 TP53 (0.52) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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 188/4885CYP1A2 1436/4885

“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.