SCHEMBL501931

SCHEMBL501931

Cc1ccc(S(=O)(=O)OC(C(=O)OC(C)(C)C)C2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.41
HTR6 P50406 1/20 0.41
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
XBP1 P17861 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.34
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
ENPP2 Q13822 2/20 0.34
CCR8 P51685 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7513515 0.93 MMP13 (0.40) MMP13HTR6MMP1MMP2MMP3
SCHEMBL7409438 0.85 MMP13 (0.39) MMP13HTR6CYP2D6MEN1KMT2A
SCHEMBL7405969 0.85 MMP13 (0.39) MMP13HTR6CYP2D6MEN1KMT2A
SCHEMBL7405973 0.85 MMP13 (0.39) MMP13HTR6CYP2D6MEN1KMT2A
SCHEMBL3111395 0.83 CA2 (0.37) MMP13HTR6MMP1MMP2MMP3
SCHEMBL4079788 0.83 CA2 (0.37) MMP13HTR6MMP1MMP2MMP3
SCHEMBL8911083 0.82 MMP13 (0.38) MMP13SLC6A2SLC6A4SLC6A3
SCHEMBL8695673 0.78 MMP13 (0.40) MMP13HTR6MMP1MMP2MMP3
SCHEMBL7366077 0.74 KMT2A (0.41) MMP13MMP1MMP2MMP9MMP8
SCHEMBL7412821 0.74 KMT2A (0.41) MMP13MMP1MMP2MMP9MMP8

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-8106087-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-01-31 US disclosed
US-20100125072-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-05-20 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-20100125072-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A MMP13 3164/4885HTR6 1089/4885MMP1 3994/4885

“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.