SCHEMBL6540140

SCHEMBL6540140

CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)c3ccc(CCNCc4ccccc4)cc3)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
BCL2L1 Q07817 2/20 0.42
MCL1 Q07820 2/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 1/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FFAR1 O14842 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
SCHEMBL6541514 0.91 SMN1; SMN2 (0.53) SMN1; SMN2CA2CA1MAPTCYP1A2
SCHEMBL6679601 0.91 CA2 (0.48) SMN1; SMN2CA2CA1MAPTCYP1A2
SCHEMBL6540180 0.87 SMN1; SMN2 (0.55) SMN1; SMN2CA2CA1MAPTNPSR1
SCHEMBL6541568 0.85 CA2 (0.45) CA2BCL2L1MCL1MAPTTP53
Hydrochloric Acid SCHEMBL6540992 0.82 ADRB3 (0.57)
SCHEMBL6679332 0.82 SMN1; SMN2 (0.49) SMN1; SMN2CA2CA1MAPTNPSR1
SCHEMBL6541100 0.82 SMN1; SMN2 (0.68) SMN1; SMN2CA2CA1MAPTNPSR1
SCHEMBL6540909 0.81 SMN1; SMN2 (0.54) SMN1; SMN2CA2CA1MAPTNPSR1
SCHEMBL6540593 0.80 SMN1; SMN2 (0.59) SMN1; SMN2CA2CA1MAPTNPSR1
SCHEMBL6680443 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CA2CA1MAPTNPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US 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 SMN1; SMN2 2146/4885CA2 2242/4885CA1 4181/4885

“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.