SCHEMBL12626116

SCHEMBL12626116

CC(=O)c1ccc(S(=O)(=O)N2CCOC23CCC(S(=O)(=O)c2ccc(C(=O)OCc4ccccc4)cc2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL12622090 0.88 ALDH1A1 (0.49) HCRTR1HCRTR2MAPTKMT2AALDH1A1
SCHEMBL13035914 0.84 HCRTR1 (0.50) HCRTR1HCRTR2MAPTKMT2AALDH1A1
SCHEMBL12626117 0.80 L3MBTL1 (0.50) HCRTR1HCRTR2KMT2AALDH1A1MEN1
SCHEMBL23160004 0.77 ALDH1A1 (0.51) HCRTR1HCRTR2KMT2AALDH1A1MEN1
SCHEMBL12626946 0.77 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1L3MBTL1LMNA
SCHEMBL23159676 0.74 L3MBTL1 (0.60) HCRTR1HCRTR2MAPTALDH1A1L3MBTL1
SCHEMBL25493754 0.73 L3MBTL1 (0.52) HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL12656080 0.73 ALDH1A1 (0.46) MAPTKMT2AALDH1A1LMNA
SCHEMBL12623977 0.72 HCRTR1 (0.51) HCRTR1HCRTR2MAPTALDH1A1L3MBTL1
SCHEMBL12623972 0.72 ALDH1A1 (0.47) HCRTR1HCRTR2MAPTALDH1A1L3MBTL1

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-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — 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 (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-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 HCRTR1 3537/4885HCRTR2 3420/4885MAPT 3486/4885

“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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