SCHEMBL526316

SCHEMBL526316

CC(C(=O)O)n1ccc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A4 P31645 9/20 0.46
SLC6A2 P23975 8/20 0.46
NTSR1 P30989 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL10203775 0.86 NOTUM (0.53) NOTUMKMT2ATSHRRAB9AL3MBTL1
SCHEMBL14683431 0.84 NOTUM (0.47) NOTUMKMT2ATSHRRAB9AL3MBTL1
SCHEMBL10165373 0.84 NOTUM (0.47) NOTUMKMT2ATSHRRAB9AL3MBTL1
SCHEMBL3374081 0.84 NOTUM (0.47) NOTUMKMT2ATSHRRAB9AL3MBTL1
SCHEMBL11412911 0.81 KMT2A (0.49) NOTUMKMT2ATSHRRAB9AL3MBTL1
SCHEMBL2182449 0.81 NR3C2 (0.53) NOTUMKMT2ASLC6A4SLC6A2CYP1A2
SCHEMBL6706690 0.79 PTPN1 (0.44) NOTUMKMT2ARAB9AL3MBTL1SLC6A4
SCHEMBL1967791 0.78 SLC6A4 (0.47) NOTUMKMT2ATSHRRAB9AL3MBTL1
SCHEMBL6258605 0.78 HTR2A (0.45) SLC6A4SLC6A2
SCHEMBL2002647 0.78 PTGS2 (0.38) KMT2ANTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP claimed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO claimed
CN-110621766-B Dispersant, method of manufacture and use thereof 雪佛龙奥伦耐有限责任公司 2021-12-24 CN disclosed
CN-110621766-A Dispersant, method of manufacture and use thereof 雪佛龙奥伦耐有限责任公司 2019-12-27 CN disclosed
US-8492403-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 US disclosed
US-8357702-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-22 US disclosed
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-8236829-B2 Bicyclic derivatives as modulators of voltage gated ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
WO-2012014186-A1 PROCESS FOR THE PREPARATION OF SILODOSIN AND ITS NOVEL INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-12 US disclosed
US-7855220-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
EP-1833787-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-09-19 EP disclosed
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20060135540-A1 PPAR active compounds PLEXXIKON, INC. 2006-06-22 US disclosed
WO-2006060535-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-06-08 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 (5 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-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 NOTUM 3398/4885KMT2A 3438/4885TSHR 4140/4885
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels TRPV1, TRPV2, TRPV3 NOTUM 3398/4885KMT2A 3438/4885TSHR 4140/4885
US-20130131109-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 NOTUM 3398/4885KMT2A 3438/4885TSHR 4140/4885
US-20110112156-A1 Bicyclic Derivatives as Modulators of Voltage Gated ION Channels TRPV1, TRPV2, TRPV3 NOTUM 3398/4885KMT2A 3438/4885TSHR 4140/4885
US-20060135540-A1 PPAR active compounds PPARG, PPARA, PPARD NOTUM 846/4885KMT2A 4098/4885TSHR 421/4885

“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.