SCHEMBL12656170

SCHEMBL12656170

O=C1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.44
AKR1B1 P15121 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 3/20 0.41
PKLR P30613 1/20 0.41
MAPT P10636 1/20 0.41
NMT1 P30419 1/20 0.41
GPR183 P32249 2/20 0.41
TSHR P16473 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL14501504 0.86 GAA (0.56) GAAKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL12655659 0.84 TSHR (0.53) GLAGAAKMT2AL3MBTL1MAPT
SCHEMBL2935769 0.83 TSHR (0.50) KMT2AALDH1A1L3MBTL1PKMPKLR
SCHEMBL24762617 0.83 USP2 (0.50) GLAGAAKMT2AALDH1A1AKR1B1
SCHEMBL2933388 0.83 L3MBTL1 (0.50) GAAKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL19348483 0.81 ALDH1A1 (0.64) KMT2AALDH1A1L3MBTL1PKMMAPT
SCHEMBL13353689 0.81 KMT2A (0.44) KMT2AALDH1A1L3MBTL1PKMPKLR
SCHEMBL12626344 0.81 EPHX2 (0.48) GLAGAAKMT2AALDH1A1L3MBTL1
SCHEMBL12656085 0.81 KMT2A (0.51) GLAGAAKMT2AALDH1A1L3MBTL1
SCHEMBL31429863 0.78 GAA (0.57) GAAALDH1A1L3MBTL1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918587-B1 Filamin A binding compounds and their use as anti-inflammatory and analgesic agents PAIN THERAPEUTICS INC (US) 2018-04-04 EP disclosed
EP-2488177-B1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 US disclosed
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 US disclosed
EP-2498600-B1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS INC (US) 2016-03-02 EP disclosed
EP-2918587-A2 Filamin a binding anti-inflammatory and analgesic Pain Therapeutics, Inc. (US) 2015-09-16 EP disclosed
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. 2014-04-24 US disclosed
US-8653068-B2 Filamin A binding anti-inflammatory and analgesic PAIN THERAPEUTICS, INC. (US) 2014-02-18 US 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-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND 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-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
WO-2010051497-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND 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 (6 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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 GLA 2899/4885GAA 4363/4885KMT2A 3222/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 GLA 1923/4885GAA 4009/4885KMT2A 2793/4885
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 GLA 1466/4885GAA 3852/4885KMT2A 2536/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 GLA 1466/4885GAA 3852/4885KMT2A 2536/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 GLA 2899/4885GAA 4363/4885KMT2A 3222/4885
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 GLA 2899/4885GAA 4363/4885KMT2A 3222/4885

“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.