SCHEMBL622762

SCHEMBL622762

CCC(C)OC(=O)C(=CNc1ccc(OC)nc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PABPC1 P11940 4/20 0.40
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5745028 0.94 MAPT (0.40) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3370547 0.86 MAPT (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL17844984 0.83 KMT2A (0.51) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3852129 0.82 ALDH1A1 (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL15129868 0.81 KMT2A (0.48) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL15129867 0.81 KMT2A (0.48) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL846105 0.81 MAPT (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL62489 0.80 NPC1 (0.46) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL5046716 0.80 DHODH (0.58) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL5295057 0.80 GAA (0.47) MAPTKMT2AMEN1KDM4EALDH1A1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
EP-1781669-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-13 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
WO-2006081178-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed
WO-2006081264-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed
WO-2006081179-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
WO-2006020561-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-23 WO disclosed
WO-2006017468-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 WO disclosed
WO-2006014580-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-09 WO disclosed
WO-2006012396-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-02 WO disclosed
WO-2006010040-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-26 WO disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 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 (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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 MAPT 4872/4885KMT2A 3611/4885MEN1 907/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAPT 4699/4885KMT2A 3261/4885MEN1 2968/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG MAPT 4448/4885KMT2A 4446/4885MEN1 3325/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAPT 4699/4885KMT2A 3261/4885MEN1 2968/4885

“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.