SCHEMBL12655869

SCHEMBL12655869

COc1cc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GPBAR1 Q8TDU6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL12624059 0.87 GPBAR1 (0.57) CYP3A4CYP2C19ALDH1A1GPBAR1SMN1; SMN2
SCHEMBL20788141 0.83 ALDH1A1 (0.46) ALDH1A1GPBAR1MAPK1PKMKDM4E
SCHEMBL12626304 0.83 ALDH1A1 (0.37) CYP3A4CYP2C9CYP2C19ALDH1A1GPBAR1
SCHEMBL12624064 0.81 PKM (0.58) ALDH1A1SMN1; SMN2PKMKMT2AKDM4E
SCHEMBL12655877 0.79 PKM (0.56) ALDH1A1MAPK1PKMKMT2AKDM4E
SCHEMBL12655866 0.77 L3MBTL1 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL8937378 0.76 KMT2A (0.56) ALDH1A1GPBAR1PKMKMT2ATSHR
SCHEMBL12625917 0.76 PKM (0.51) CYP2C19ALDH1A1PKMKMT2AKDM4E
SCHEMBL12626000 0.76 KDM4E (0.49) ALDH1A1SMN1; SMN2MAPK1PKMKMT2A
SCHEMBL12625892 0.76 POLB (0.62) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1

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-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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND 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
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 (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 CYP1A2 3900/4885CYP3A4 3971/4885CYP2C9 2954/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 CYP1A2 4210/4885CYP3A4 4214/4885CYP2C9 3346/4885
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 CYP1A2 4113/4885CYP3A4 4285/4885CYP2C9 3278/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 CYP1A2 4113/4885CYP3A4 4285/4885CYP2C9 3278/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 CYP1A2 3900/4885CYP3A4 3971/4885CYP2C9 2954/4885
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 CYP1A2 3900/4885CYP3A4 3971/4885CYP2C9 2954/4885

“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.