SCHEMBL5098511

SCHEMBL5098511

C=CCOC(=O)c1ccc([S+](C)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.44
THRB P10828 9/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGER4 P35408 1/20 0.41
HTT P42858 1/20 0.40
HCAR3 P49019 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
SCHEMBL5095095 0.83 VCAM1 (0.67) VCAM1THRBKMT2AMAPTPOLB
SCHEMBL5102190 0.82 TSHR (0.56) KMT2AMAPTRAB9APOLBNPC1
SCHEMBL5095132 0.82 ALDH1A1 (0.47) KMT2AMAPTRAB9APOLBNPC1
SCHEMBL2705489 0.81 CYP3A4 (0.50) KMT2AMAPTRAB9APOLBNPC1
SCHEMBL753770 0.81 KMT2A (0.45) KMT2AMAPTRAB9APOLBNPC1
SCHEMBL5095274 0.80 ALDH1A1 (0.58) KMT2AMAPTRAB9APOLBNPC1
SCHEMBL5109046 0.80 VCAM1 (0.57) VCAM1KMT2AMAPTNPC1MEN1
SCHEMBL2978481 0.80 THRB (0.52) VCAM1THRBKMT2AMAPTRAB9A
SCHEMBL1459781 0.80 TSHR (0.56) KMT2AMAPTRAB9APOLBNPC1
SCHEMBL5108863 0.79 HCAR3 (0.48) KMT2AMAPTRAB9APOLBNPC1

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 VCAM1 4799/4885THRB 3285/4885KMT2A 2029/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 VCAM1 3202/4885THRB 2557/4885KMT2A 1783/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 VCAM1 3551/4885THRB 2601/4885KMT2A 1735/4885

“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.