SCHEMBL12663587

SCHEMBL12663587

O=C(O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.55
▸ HCRTR2 O43614 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL12621830 0.90 ALDH1A1 (0.59) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL12656050 0.88 HCRTR1 (0.58) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL12622132 0.86 L3MBTL1 (0.51) HCRTR1HCRTR2L3MBTL1ALDH1A1POLB
SCHEMBL12622046 0.85 GLA (0.60) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL12626297 0.85 L3MBTL1 (0.53) HCRTR1HCRTR2L3MBTL1ALDH1A1POLB
SCHEMBL12622002 0.85 POLB (0.64) HCRTR1HCRTR2L3MBTL1ALDH1A1POLB
SCHEMBL12621871 0.83 GAA (0.59) HCRTR1HCRTR2L3MBTL1ALDH1A1POLB
SCHEMBL12626117 0.83 L3MBTL1 (0.50) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL12626006 0.83 L3MBTL1 (0.58) HCRTR1HCRTR2L3MBTL1ALDH1A1POLB
SCHEMBL12621845 0.83 L3MBTL1 (0.65) L3MBTL1ALDH1A1POLB

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 8 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-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 — — US disclosed
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 — — US disclosed
WO-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — WO 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 HCRTR1 3537/4885HCRTR2 3420/4885L3MBTL1 3970/4885
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A FLNA, OPRL1, FLNB HCRTR1 1651/4885HCRTR2 1832/4885L3MBTL1 2361/4885

“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.

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