SCHEMBL9976027

SCHEMBL9976027

Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.68
HTT P42858 3/20 0.68
TP53 P04637 1/20 0.62
GAA P10253 4/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
THRB P10828 1/20 0.56
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
FAAH O00519 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL9975980 0.91 FAAH (0.59) PKMHTTTP53GAAALDH1A1
SCHEMBL9976028 0.86 ALDH1A1 (0.61) PKMHTTTP53GAAALDH1A1
SCHEMBL9975985 0.83 HTT (0.63) PKMHTTTP53GAAALDH1A1
SCHEMBL3970094 0.75 LMNA (0.73) TP53GAAALDH1A1LMNASMN1; SMN2
SCHEMBL19991949 0.75 LMNA (0.73) TP53GAAALDH1A1LMNASMN1; SMN2
SCHEMBL8036144 0.75 LMNA (0.73) TP53GAAALDH1A1LMNASMN1; SMN2
SCHEMBL3974277 0.75 LMNA (0.73) TP53GAAALDH1A1LMNASMN1; SMN2
SCHEMBL9975981 0.74 BCHE (0.60) PKMHTTTP53GAAALDH1A1
SCHEMBL9975988 0.73 KDM4E (0.60) PKMHTTTP53GAAALDH1A1
SCHEMBL9975989 0.73 KDM4E (0.57) PKMHTTTP53GAAALDH1A1

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-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B PKM 4235/4885HTT 3143/4885TP53 238/4885

“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.