SCHEMBL3282365

SCHEMBL3282365

O=C(O)c1ccc2c(c1)CN(S(=O)(=O)c1cccs1)CC2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
PKM P14618 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
AKR1C3 P42330 15/20 0.55
AKR1C1 Q04828 2/20 0.54
HDAC1 Q13547 1/20 0.49

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
SCHEMBL3280649 0.81 AKR1C3 (0.76) AKR1C3AKR1C1
SCHEMBL7828814 0.81 TSHR (1.00) TSHRMAPK1PKMSMN1; SMN2ALDH1A1
SCHEMBL3286988 0.77 AKR1C3 (0.73) SMN1; SMN2AKR1C3AKR1C1
SCHEMBL25734239 0.77 ESR1 (0.58) ALDH1A1AKR1C3AKR1C1
SCHEMBL4239496 0.76 AKR1C3 (0.76) ALDH1A1AKR1C3AKR1C1
SCHEMBL3282044 0.76 AKR1C3 (0.73) AKR1C3AKR1C1
SCHEMBL3284957 0.76 AKR1C3 (0.73) AKR1C3AKR1C1
SCHEMBL3281383 0.76 AKR1C3 (0.69) AKR1C3AKR1C1
SCHEMBL4012085 0.76 AKR1C3 (0.73) AKR1C3AKR1C1
SCHEMBL3287776 0.75 AKR1C3 (0.66) 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 TSHR 4496/4885MAPK1 2946/4885PKM 1424/4885

“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.