SCHEMBL1543828

SCHEMBL1543828

CCOC(=O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
NPC1 O15118 7/20 0.67
HPGD P15428 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 2/20 0.60
PKM P14618 1/20 0.60
MAPT P10636 4/20 0.58
MEN1 O00255 4/20 0.58
MAPK1 P28482 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 2/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 1/20 0.54
NAMPT P43490 1/20 0.54

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
SCHEMBL29145798 0.89 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL31114389 0.87 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL31173200 0.87 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL11655759 0.87 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL15789054 0.86 RAB9A (0.61) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL7432597 0.86 ALDH1A1 (0.51) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL25736763 0.86 ALDH1A1 (0.57) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL8897098 0.85 NAMPT (0.56) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL7425443 0.85 RAB9A (0.71) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL7427867 0.85 ALDH1A1 (0.53) RAB9ASMN1; SMN2NPC1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017216763-A1 N-PHENYLALKOXY-7-OXO-6-SULFOOXY-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2017-12-21 WO disclosed
US-8962667-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases Microdose Therapeutix, Inc. (US) 2015-02-24 US disclosed
CN-102015651-B Compounds and compositions as TLR activity modulators IRM LLC 2014-12-31 CN disclosed
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX INC (US) 2014-12-11 US disclosed
US-8846735-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2014-09-30 US disclosed
US-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX, INC. (US) 2014-03-13 US disclosed
US-8575205-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2013-11-05 US disclosed
CN-102762226-A Benzonaphthyridine-containing vaccines NOVARTIS AG 2012-10-31 CN disclosed
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES NITZ THEODORE J (US) 2012-07-19 US disclosed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 US disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-6815459-B2 USE IN PREVENTING VARIOUS MEDICAL DYSFUNCTIONS AND DISEASES ARISING FROM REACTIVE OXYGEN SPECIES, IN PARTICULAR STROKE, PARKINSON'S DISEASE, ALZHEIMER'S DISEASE; LIPID PEROXIDATION INHIBITION ACTIVITY SAM-SUNG ELECTRONICS CO., LTD. (KR) 2004-11-09 US disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed
US-20030220337-A1 Seleno compounds containing nitrone moiety, their preparation and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2003-11-27 US disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 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 (6 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-20030220337-A1 Seleno compounds containing nitrone moiety, their preparation and their therapeutic uses GPX4, GPX1, LPO RAB9A 455/4885SMN1; SMN2 39/4885NPC1 112/4885
US-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 RAB9A 1283/4885SMN1; SMN2 2060/4885NPC1 6/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 RAB9A 1926/4885SMN1; SMN2 1409/4885NPC1 554/4885
US-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 RAB9A 2841/4885SMN1; SMN2 1129/4885NPC1 223/4885
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 RAB9A 2841/4885SMN1; SMN2 1129/4885NPC1 223/4885
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 RAB9A 2841/4885SMN1; SMN2 1129/4885NPC1 223/4885

“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.