SCHEMBL5095256

SCHEMBL5095256

C=CCOC(=O)c1cc(N)cc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 1/20 0.45
ATAD2 Q6PL18 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 7/20 0.42
SNCA P37840 1/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL5095083 0.92 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL5557935 0.89 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL5108935 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL5101798 0.85 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL5109264 0.84 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL7233366 0.84 NPC1 (0.43) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL7233370 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRATAD2CYP3A4
SCHEMBL8909579 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL254063 0.83 CYP3A4 (0.59) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL27479617 0.83 CYP3A4 (0.53) ALDH1A1HSD17B10TSHRCYP3A4KDM4E

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 19 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-6541491-B1 Treating ras mediated diseases, especially cancer. ZENECA LIMITED (GB) 2003-04-01 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-6232338-B1 4-Mercaptopyrrolidine derivatives as farnesyl transferase inhibitors ZENECA LIMITED (GB) 2001-05-15 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
EP-0842151-A1 4-MERCAPTOPYRROLIDINE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1998-05-20 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
WO-1997006138-A1 4-MERCAPTOPYRROLIDINE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1997-02-20 WO 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 ALDH1A1 3269/4885HSD17B10 477/4885TSHR 3766/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ALDH1A1 1382/4885HSD17B10 303/4885TSHR 3965/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ALDH1A1 1579/4885HSD17B10 381/4885TSHR 4017/4885

“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.