SCHEMBL5101716

SCHEMBL5101716

C=CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALOX5 P09917 3/20 0.40
CYP3A4 P08684 2/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SNCA P37840 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5099713 0.90 NPC1 (0.52) NPC1ALOX5CYP3A4PTPN2PTPN1
SCHEMBL5708183 0.90 NPC1 (0.52) NPC1ALOX5CYP3A4PTPN2PTPN1
SCHEMBL4657758 0.84 NPC1 (0.48) NPC1ALOX5CYP3A4PTPN2PTPN1
SCHEMBL5102101 0.83 NPC1 (0.53) NPC1ALOX5CYP3A4PTPN2PTPN1
SCHEMBL5108117 0.83 GAA (0.53) NPC1POLBSMN1; SMN2MAPTHTT
SCHEMBL5098512 0.83 CYP3A4 (0.57) NPC1ALOX5CYP3A4PTPN2PTPN1
SCHEMBL5095192 0.83 NPC1 (0.44) NPC1ALOX5CYP3A4MAPT
SCHEMBL2530050 0.82 NPC1 (0.46) NPC1ALOX5CYP3A4PTPN2PTPN1
SCHEMBL3266105 0.81 NPC1 (0.69) NPC1ALOX5SMN1; SMN2MAPT
SCHEMBL5095212 0.81 NPC1 (0.48) NPC1ALOX5SMN1; SMN2MAPTHTT

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-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
CN-1036006-C Antibiotic compounds ZENECA LTD (GB) 1997-10-01 CN disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 CN disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 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 (3 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 NPC1 848/4885ALOX5 3005/4885CYP3A4 1010/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 NPC1 144/4885ALOX5 3595/4885CYP3A4 631/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 NPC1 156/4885ALOX5 3618/4885CYP3A4 745/4885

“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.