SCHEMBL6540419

SCHEMBL6540419

COc1ccc(-c2nc(S(C)(=O)=O)oc2-c2ccc(OCCNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 2/20 0.41
ROCK2 O75116 2/20 0.41
MAP4K4 O95819 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
HIPK2 Q9H2X6 2/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
CDK1 P06493 1/20 0.41
ROS1 P08922 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
SCHEMBL6539106 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6276970 0.85 MTNR1A (0.44) ALDH1A1MEN1KMT2AGSK3BKDM4E
SCHEMBL6540424 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6540181 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6539762 0.85 PTGS2 (0.46) ALDH1A1MEN1KMT2AHTTGSK3B
SCHEMBL6207074 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6539157 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6539829 0.83 POLB (0.43) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6278136 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6539128 0.80 PPARD (0.42) ALDH1A1MEN1KMT2AHTTMTNR1A

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-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 ALDH1A1 163/4885MEN1 4420/4885KMT2A 3081/4885

“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.