SCHEMBL2214824

SCHEMBL2214824

CCOC(=O)CN(CCCO)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.53
PAX8 Q06710 1/20 0.53
ALOX5 P09917 1/20 0.46
LTA4H P09960 3/20 0.45
ALDH1A1 P00352 5/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
PIN1 Q13526 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
PPID Q08752 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3978302 0.89 ALOX5 (0.54) CCR6PAX8ALOX5LTA4HALDH1A1
SCHEMBL11928331 0.89 CCR6 (0.49) CCR6PAX8ALOX5LTA4HALDH1A1
SCHEMBL16488805 0.88 CCR6 (0.47) CCR6PAX8ALOX5LTA4HALDH1A1
SCHEMBL3423094 0.87 ALOX5 (0.51) CCR6PAX8ALOX5LTA4HALDH1A1
SCHEMBL15194247 0.86 CCR6 (0.48) CCR6PAX8ALOX5LTA4HALDH1A1
SCHEMBL15275367 0.86 CCR6 (0.45) CCR6PAX8ALOX5LTA4HALDH1A1
SCHEMBL11307171 0.85 ALDH1A1 (0.47) CCR6PAX8ALOX5LTA4HALDH1A1
SCHEMBL10058216 0.85 CCR6 (0.58) CCR6PAX8ALOX5LTA4HL3MBTL1
Hydrochloric Acid SCHEMBL15266733 0.85 CCR6 (0.44) CCR6PAX8ALOX5LTA4HALDH1A1
SCHEMBL417432 0.84 CCR6 (0.57) CCR6PAX8ALOX5LTA4HL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877961-B2 Bridged monobactam intermediates BASILEA PHARMACEUTICA AG (CH) 2014-11-04 US disclosed
US-20130274503-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2013-10-17 US disclosed
US-8450477-B2 Process for the manufacture of bridged monobactam intermediates Basilea Pharmaceutica A.G. (CH) 2013-05-28 US disclosed
EP-2197881-B1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2013-04-17 EP disclosed
US-20110178291-A1 Process for the manufacture of bridged monobactam intermediates Basilea Pharmacuetica AG 2011-07-21 US disclosed
EP-2197881-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES Basilea Pharmaceutica AG (CH) 2010-06-23 EP disclosed
WO-2009037229-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2009-03-26 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 (2 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-20130274503-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES COASY, ACMSD, BPGM CCR6 753/4885PAX8 4799/4885ALOX5 763/4885
US-20110178291-A1 Process for the manufacture of bridged monobactam intermediates C1S, CCNB1, C9 CCR6 477/4885PAX8 4835/4885ALOX5 1501/4885

“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.