SCHEMBL5095095

SCHEMBL5095095

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.67
THRB P10828 17/20 0.64
MAPT P10636 5/20 0.57
HTT P42858 4/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
VDR P11473 2/20 0.56
LMNA P02545 2/20 0.55
PPARG P37231 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MITF O75030 1/20 0.54
PAX8 Q06710 1/20 0.54
PKM P14618 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
SCHEMBL5098511 0.83 VCAM1 (0.44) VCAM1THRBMAPTHTTPOLB
SCHEMBL5102190 0.82 TSHR (0.56) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL753770 0.81 KMT2A (0.45) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL2705489 0.81 CYP3A4 (0.50) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL5095274 0.80 ALDH1A1 (0.58) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL2978481 0.80 THRB (0.52) VCAM1THRBMAPTPOLBKMT2A
SCHEMBL5102218 0.80 ALDH1A1 (0.47) VCAM1THRBPKM
SCHEMBL1459781 0.80 TSHR (0.56) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL5109046 0.80 VCAM1 (0.57) VCAM1MAPTHTTKMT2AMEN1
SCHEMBL5108863 0.79 HCAR3 (0.48) MAPTPOLBKMT2AMEN1LMNA

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 3285/4885MAPT 4842/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 VCAM1 3202/4885THRB 2557/4885MAPT 4741/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 VCAM1 3551/4885THRB 2601/4885MAPT 4740/4885

“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.