SCHEMBL73812

SCHEMBL73812

CCc1ccccc1Sc1ccccc1CO

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.59
SLC6A4 P31645 8/20 0.53
SLC6A2 P23975 5/20 0.47
LDHA P00338 1/20 0.43
IFNAR1 P17181 1/20 0.42
SLC6A3 Q01959 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPY1R P25929 1/20 0.41
MAPK1 P28482 1/20 0.41
NPY2R P49146 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL4442278 0.89 APOBEC3G (0.73) APOBEC3GSLC6A4SLC6A2LDHAIFNAR1
SCHEMBL74169 0.89 SLC6A2 (0.47) APOBEC3GSLC6A4SLC6A2IFNAR1SLC6A3
SCHEMBL12090255 0.82 P4HB (0.57) SLC6A4SLC6A2SLC6A3GABRA1GABRB2
SCHEMBL13579946 0.82 APOBEC3G (0.57) APOBEC3GSLC6A4SLC6A2IFNAR1SLC6A3
SCHEMBL21417607 0.81 SLC6A4 (0.42) SLC6A4SLC6A2IFNAR1SLC6A3GABRA1
SCHEMBL18795670 0.81 SLC6A4 (0.48) APOBEC3GSLC6A4SLC6A2SLC6A3
SCHEMBL30711874 0.81 SLC6A4 (0.48) APOBEC3GSLC6A4SLC6A2SLC6A3
SCHEMBL11630430 0.80 SLC6A4 (0.54) APOBEC3GSLC6A4SLC6A2SLC6A3LMNA
SCHEMBL11632678 0.80 SLC6A4 (0.58) APOBEC3GSLC6A4SLC6A2IFNAR1SLC6A3
SCHEMBL4448364 0.79 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LDHAIFNAR1

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
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 US disclosed
WO-2007081978-A2 MODULATORS OF HEPATOCYTE GROWTH FACTOR / C-MET ACTIVITY ANGION BIOMEDICA CORPORATION (US) 2007-07-19 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 (10 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-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 APOBEC3G 4882/4885SLC6A4 994/4885SLC6A2 1776/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 APOBEC3G 4882/4885SLC6A4 1078/4885SLC6A2 2127/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 APOBEC3G 4882/4885SLC6A4 1078/4885SLC6A2 2127/4885
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 APOBEC3G 2145/4885SLC6A4 3549/4885SLC6A2 4068/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 APOBEC3G 4882/4885SLC6A4 1078/4885SLC6A2 2127/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 APOBEC3G 4882/4885SLC6A4 994/4885SLC6A2 1776/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 APOBEC3G 4882/4885SLC6A4 975/4885SLC6A2 1765/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR APOBEC3G 4882/4885SLC6A4 1137/4885SLC6A2 2157/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 APOBEC3G 4882/4885SLC6A4 1078/4885SLC6A2 2127/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 APOBEC3G 2907/4885SLC6A4 3112/4885SLC6A2 4001/4885

“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.