SCHEMBL4193263

SCHEMBL4193263

CC(=O)O[C@@H]1CCCC[C@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 6/20 0.61
FABP7 O15540 4/20 0.61
FABP3 P05413 3/20 0.61
SLC18A3 Q16572 4/20 0.59
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
TACR1 P25103 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL15570630 1.00 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL19355090 1.00 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL19355194 1.00 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL19355089 1.00 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL4193266 1.00 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL7274841 0.97 FABP5 (0.57) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL8847691 0.87 FABP5 (0.62) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL25369792 0.86 FABP5 (0.64) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL21826667 0.86 FABP5 (0.64) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL21826668 0.86 FABP5 (0.64) FABP5FABP7FABP3SLC18A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2887807-B1 BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES USEFUL AS AMP-ACTIVATED PROTEIN KINASE ACTIVATORS MERCK SHARP & DOHME (US) 2019-09-18 EP disclosed
EP-2888005-B1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME (US) 2019-04-03 EP disclosed
WO-2017156354-A1 α-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-09-14 WO disclosed
US-9556193-B2 Benzimidazole hexahydrofuro[3,2-b]furan derivatives Merck Shapr & Dohme Corp. (US) 2017-01-31 US disclosed
US-9290517-B2 Azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-10-08 US disclosed
US-20150218183-A1 NOVEL BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
EP-2888005-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
EP-2887807-A1 NOVEL BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
WO-2014031468-A1 NOVEL BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 WO disclosed
WO-2014031515-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 WO disclosed
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE KLAR ULRICH 2009-01-15 US disclosed
US-7407975-B2 Epothilone derivatives, method for producing same and their pharmaceutical use BAYER SCHERING PHARMA AG (DE) 2008-08-05 US disclosed
US-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-02-23 US disclosed
US-7001916-B1 Epothilon derivatives, method for the production and the use thereof as pharmaceuticals SCHERING, AG (DE) 2006-02-21 US disclosed
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-07-31 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 (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-20150218183-A1 NOVEL BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES PRKAG3, PRKAG2, PRKAB2 FABP5 126/4885FABP7 387/4885FABP3 30/4885
US-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use PTGIS, PTGES, PTGES2 FABP5 2674/4885FABP7 3804/4885FABP3 4355/4885
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE TUBB1, TUBA1C, TUBB4A FABP5 4684/4885FABP7 4727/4885FABP3 4341/4885
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 FABP5 190/4885FABP7 507/4885FABP3 107/4885
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE TUBB4A, TUBA1B, TUBB FABP5 4776/4885FABP7 4843/4885FABP3 4531/4885

“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.