SCHEMBL12570710

SCHEMBL12570710

CCS(=O)(=O)c1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.48
GAA P10253 1/20 0.43
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.38
EDNRA P25101 1/20 0.37
CCR4 P51679 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
GRIA4 P48058 1/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
DAO P14920 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL12360342 0.85 PTGDR2 (0.37) PSIP1HSD11B1ALDH1A1EDNRADRD2
SCHEMBL2256418 0.82 ALDH1A1 (0.41) HSD11B1ALDH1A1EDNRASMN1; SMN2CA2
SCHEMBL12360340 0.79 THRB (0.43) ALDH1A1CA2
SCHEMBL2257374 0.79 THRB (0.43) ALDH1A1CA2
SCHEMBL12360337 0.79 THRB (0.43) ALDH1A1CA2
SCHEMBL3437251 0.76
SCHEMBL3272540 0.75 HTR6 (0.39) GAAHSD11B1ALDH1A1EDNRACCR4
SCHEMBL6980196 0.75 HSD11B1 (0.36) HSD11B1ALDH1A1EDNRACA1CA2
SCHEMBL27678009 0.75 HSD11B1 (0.36) HSD11B1ALDH1A1EDNRACCR4CES2
SCHEMBL9628488 0.73

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 12 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
EP-2918587-A2 Filamin a binding anti-inflammatory and analgesic Pain Therapeutics, Inc. (US) 2015-09-16 EP disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 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
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
CN-1463458-A Member for push button switch and method for mfg. same SHIN ESTU POLYMER CO LTD (JP) 2003-12-24 CN 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 (8 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 PSIP1 3507/4885GAA 4363/4885HSD11B1 4080/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 PSIP1 2900/4885GAA 4009/4885HSD11B1 4446/4885
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 PSIP1 4246/4885GAA 3852/4885HSD11B1 3843/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 PSIP1 4246/4885GAA 3852/4885HSD11B1 3843/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 PSIP1 3507/4885GAA 4363/4885HSD11B1 4080/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 PSIP1 460/4885GAA 637/4885HSD11B1 449/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC PSIP1 479/4885GAA 411/4885HSD11B1 1052/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PSIP1 1500/4885GAA 151/4885HSD11B1 3792/4885

“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.