SCHEMBL1162471

SCHEMBL1162471

NCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
FABP5 Q01469 3/20 0.50
FABP7 O15540 2/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
EPHX2 P34913 1/20 0.45
HTR2A P28223 1/20 0.44
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 2/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL14947096 0.88 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL1940665 0.88 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL97613 0.86 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL9660107 0.85 CYP1A2 (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL31756603 0.85 CYP1A2 (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL1829602 0.85 FABP5 (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL1829604 0.85 FABP5 (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL25144 0.85 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL524545 0.84 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2
SCHEMBL3976225 0.84 KMT2A (0.48) KMT2AFABP5FABP7CA1CA2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed
EP-3085388-B1 HYPERBRANCHED POLYMER CONJUGATES VIA NON-ENZYMATIC CLEAVABLE LINKER ASCENDIS PHARMA GROWTH DISORDERS AS (DK) 2021-04-07 EP disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
EP-3145944-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2017-03-29 EP disclosed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP disclosed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US disclosed
EP-3085388-A1 HYPERBRANCHED POLYMER CONJUGATES VIA NON-ENZYMATIC CLEAVABLE LINKER Ascendis Pharma Growth Disorders Division A/S (DK) 2016-10-26 EP disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
EP-1379881-B1 METHOD FOR DETERMINING THE SUBSTRATE SPECIFICITY OF AN ENZYMATIC ACTIVITY AND A DEVICE THEREFOR JERINI AG (DE) 2004-10-06 EP disclosed
EP-1379881-A2 METHOD FOR DETERMINING THE SUBSTRATE SPECIFICITY OF AN ENZYMATIC ACTIVITY AND A DEVICE THEREFOR Jerini AG (DE) 2004-01-14 EP disclosed
US-6660832-B1 Cyclic peptide compounds with fused benzene rings; solid phase synthesis thereof; use as antibiotic to treat bacterial infection in mammals; may work by binding to RNA targets ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
WO-2002083933-A2 METHOD FOR DETERMINING THE SUBSTRATE SPECIFICITY OF AN ENZYMATIC ACTIVITY AND A DEVICE THEREFOR JERINI AG (DE) 2002-10-24 WO disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2001014346-A1 MACROCYCLIC COMPOUNDS AND PREPARATION METHODS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2001-03-01 WO disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (4 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-10351595-B2 MRPL21, PRSS1, PEPD KMT2A 4084/4885FABP5 2014/4885FABP7 3202/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC KMT2A 3283/4885FABP5 3094/4885FABP7 4034/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR KMT2A 3304/4885FABP5 1237/4885FABP7 952/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KMT2A 3283/4885FABP5 3094/4885FABP7 4034/4885

“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.