SCHEMBL3281383

SCHEMBL3281383

O=C(O)c1ccc2c(c1)CN(S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 18/20 0.69
AKR1C1 Q04828 4/20 0.63
TMEM97 Q5BJF2 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
AKR1C2 P52895 2/20 0.54

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
SCHEMBL3284957 0.90 AKR1C3 (0.73) AKR1C3AKR1C1AKR1C2
SCHEMBL3280649 0.86 AKR1C3 (0.76) AKR1C3AKR1C1
SCHEMBL3282209 0.83 AKR1C3 (0.67) AKR1C3AKR1C1
SCHEMBL3282044 0.82 AKR1C3 (0.73) AKR1C3AKR1C1
SCHEMBL4012085 0.82 AKR1C3 (0.73) AKR1C3AKR1C1
SCHEMBL3286988 0.81 AKR1C3 (0.73) AKR1C3AKR1C1
SCHEMBL4239496 0.81 AKR1C3 (0.76) AKR1C3AKR1C1
SCHEMBL5632587 0.80 AKR1C3 (0.77) AKR1C3AKR1C1
SCHEMBL6448884 0.80 KMT2A (0.69) AKR1C3AKR1C1TMEM97SIGMAR1
SCHEMBL3282023 0.80 HDAC6 (0.71) AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 AKR1C3 1345/4885AKR1C1 1295/4885TMEM97 2490/4885

“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.