SCHEMBL577793

SCHEMBL577793

CCOC(=O)c1nc(OC)cc(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HSD17B2 P37059 1/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 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
SCHEMBL9461048 0.93 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL8405657 0.86 KDM4E (0.45) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL9866873 0.85 CYP1A2 (0.46) KDM4EPOLBCYP1A2CA12CA1
SCHEMBL8578537 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL1179800 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL8404026 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL1324299 0.80 CYP1A2 (0.45) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL3400524 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL8571437 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL352579 0.80 CYP1A2 (0.54) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
EP-0353640-B2 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2003-10-15 EP disclosed
US-5869667-A Process for preparing 2- pyrimidinecarboxylates LONZA AG (CH) 1999-02-09 US disclosed
EP-0353640-B1 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1995-04-12 EP disclosed
US-5186736-A Pre- and postemergence HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5053072-A HETEROCYCLIC N-ACYLSULFONAMIDES, AND THEIR USE AS HERBICIDES OR GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
EP-0353640-A2 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators Hoechst Schering AgrEvo GmbH (DE) 1990-02-07 EP 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 (1 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-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885KDM4E 3609/4885MAPT 3077/4885

“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.