SCHEMBL6540591

SCHEMBL6540591

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N(Cc3ccccc3)C[C@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
NR1I2 O75469 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL6540594 1.00 MAPT (0.49) MAPTPOLBTP53MAPK1SMN1; SMN2
SCHEMBL6540712 0.89 TP53 (0.51) MAPTPOLBTP53MAPK1SMN1; SMN2
SCHEMBL6540707 0.89 TP53 (0.51) MAPTPOLBTP53MAPK1SMN1; SMN2
SCHEMBL6540697 0.87 POLB (0.44) MAPTPOLBTP53MAPK1SMN1; SMN2
SCHEMBL6540702 0.87 POLB (0.44) MAPTPOLBTP53MAPK1SMN1; SMN2
SCHEMBL6539647 0.81 ADRB3 (0.48) MAPTUSP2CYP3A4NR1I2ADRB1
SCHEMBL6539641 0.81 ADRB3 (0.48) MAPTUSP2CYP3A4NR1I2ADRB1
SCHEMBL6806332 0.79 TP53 (0.41) MAPTPOLBTP53MAPK1SMN1; SMN2
SCHEMBL6676696 0.79 TP53 (0.41) MAPTPOLBTP53MAPK1SMN1; SMN2
SCHEMBL6539998 0.77 RORC (0.42) MAPTPOLBTP53CYP1A2CYP2D6

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 4502/4885POLB 1231/4885TP53 3788/4885

“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.