SCHEMBL4440995

SCHEMBL4440995

CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.43
MCL1 Q07820 1/20 0.43
VCAM1 P19320 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 3/20 0.41
RAF1 P04049 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
POLB P06746 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7416176 1.00 BCL2 (0.43) BCL2MCL1VCAM1ALDH1A1HPGD
SCHEMBL26965604 0.84 SSTR4 (0.40) GAAPOLBSMN1; SMN2KDM4E
SCHEMBL4445863 0.84 HCAR3 (0.50) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7411897 0.83 MAPK1 (0.44) BCL2MCL1VCAM1ALDH1A1HPGD
SCHEMBL7422853 0.82 THRB (0.44) VCAM1ALDH1A1HPGDHSP90AA1THRB
SCHEMBL27159043 0.80 GAA (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3946429 0.80 GAA (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6821981 0.80 VCAM1 (0.53) VCAM1ALDH1A1HPGDHSP90AA1MEN1
SCHEMBL26965593 0.79 HTT (0.43) HTTGAANPC1RAB9A
SCHEMBL1181428 0.77 MEN1 (0.58) VCAM1ALDH1A1MEN1KMT2ALMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-22 US disclosed
EP-1517687-B1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA (DE) 2007-06-20 EP disclosed
EP-1517687-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-30 EP disclosed
US-20040023975-A1 Pharmaceutical compositions for the treatment of systemic inflammatory response syndrome BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-05 US disclosed
WO-2004000310-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-31 WO disclosed
US-6593355-B2 2-phenylaminomethyl benzimidazole derivatives BOEHRINGER INGELEHIM PHARMA KG (DE) 2003-07-15 US disclosed
US-20030004356-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6451832-B2 E.G., 2-(AMINDINOPHENYLAMINOMETHYL)-1-METHYL-5-(1-(ETHOXY-CARBONYL-METHYLAMINO)-1 -(2,5-DIHYDROPYRROLOCARBONYL)-ETHYL)BENZIMIDAZOLE; ANTICOAGULANTS AND ANTITHROMBOLYTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-17 US disclosed
US-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 US disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US 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 (4 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-20040023975-A1 Pharmaceutical compositions for the treatment of systemic inflammatory response syndrome IL5, TSLP, TLR5 BCL2 3702/4885MCL1 2500/4885VCAM1 192/4885
US-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME IL5, TSLP, TLR5 BCL2 3702/4885MCL1 2500/4885VCAM1 192/4885
US-20030004356-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 BCL2 2063/4885MCL1 276/4885VCAM1 24/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 BCL2 2063/4885MCL1 276/4885VCAM1 24/4885

“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.