SCHEMBL12655865

SCHEMBL12655865

O=C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.71
TSHR P16473 2/20 0.71
PKM P14618 9/20 0.68
KMT2A Q03164 4/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
HSD11B1 P28845 1/20 0.62
PKLR P30613 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.57

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
SCHEMBL8365545 0.94 MCOLN3 (0.73) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL18134604 0.88 MCOLN3 (0.83) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL3169939 0.85 MCOLN3 (0.97) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL3814970 0.83 MCOLN3 (1.00) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL30821997 0.83 MCOLN3 (1.00) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL20021982 0.81 PKM (0.89) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL29483657 0.81 PKM (0.89) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL15014129 0.81 PKM (0.89) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL1048996 0.81 MCOLN3 (0.71) MCOLN3TSHRPKMKMT2ALMNA
SCHEMBL333988 0.81 PKM (1.00) MCOLN3TSHRPKMKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498600-B1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS INC (US) 2016-03-02 EP disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 US disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 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 (2 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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 MCOLN3 1603/4885TSHR 4274/4885PKM 2058/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 MCOLN3 1603/4885TSHR 4274/4885PKM 2058/4885

“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.