SCHEMBL6540016

SCHEMBL6540016

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CA4 P22748 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
SFRP1 Q8N474 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6539474 0.90 SMN1; SMN2 (0.52) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL6679701 0.89 CA1 (0.51) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL6679489 0.87 CA1 (0.51) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL6541100 0.84 SMN1; SMN2 (0.68) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL6540180 0.84 SMN1; SMN2 (0.55) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL6678367 0.83 SMN1; SMN2 (0.46) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL6540545 0.82 HTR6 (0.47) CA1CA2CA12CA9CA4
SCHEMBL6679837 0.81 KMT2A (0.43) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL6680446 0.81 KDM4E (0.48) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL6676306 0.81 OPRM1 (0.49) CA1CA2SMN1; SMN2CA12CA9

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 CA1 4181/4885CA2 2242/4885SMN1; SMN2 2146/4885

“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.