SCHEMBL2948072

SCHEMBL2948072

COc1ccc(C2(C(N)=O)CCCC2)cc1OC

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.97
KMT2A Q03164 4/20 0.68
MEN1 O00255 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
HDAC1 Q13547 1/20 0.55
CASP1 P29466 2/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 1/20 0.48
MAOA P21397 1/20 0.47
QPCT Q16769 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL5698001 0.98 LMNA (1.00) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL31184746 0.88 LMNA (0.81) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL28500869 0.88 LMNA (0.81) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL31184479 0.88 LMNA (0.81) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL31184664 0.87 LMNA (0.79) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL30683836 0.86 LMNA (0.73) LMNAKMT2AMEN1L3MBTL1HDAC1
SCHEMBL9260618 0.84 LMNA (0.70) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL31184542 0.83 LMNA (0.73) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL17335537 0.81 LMNA (0.67) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL29130898 0.81 LMNA (0.67) LMNAKMT2AMEN1L3MBTL1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232302-B2 Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-7846951-B2 Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
CN-101675928-A Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMA 2010-03-24 CN disclosed
EP-2140865-A1 Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2010-01-06 EP disclosed
EP-1682127-B1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-07-29 EP disclosed
US-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-01-15 US disclosed
US-7407976-B2 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-05 US disclosed
CN-1925854-A Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-03-07 CN disclosed
EP-1682127-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-07-26 EP disclosed
EP-1680411-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CONTAINING CYCLOALKYL OR PYRANYL GROUPS Vertex Pharmaceuticals Incorporated (US) 2006-07-19 EP disclosed
US-20050130970-A1 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-06-16 US disclosed
WO-2005049018-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-02 WO disclosed
WO-2005035514-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CONTAINING CYCLOALKYL OR PYRANYL GROUPS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-21 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-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3915/4885KMT2A 4680/4885MEN1 4797/4885
US-20050130970-A1 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 LMNA 3915/4885KMT2A 4680/4885MEN1 4797/4885

“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.