SCHEMBL2945600

SCHEMBL2945600

COC(=O)[C@H]1CC[C@H](N2CCOCC2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
BTK Q06187 1/20 0.36
ALDH1A1 P00352 4/20 0.36
F10 P00742 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PIK3CD O00329 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2945601 1.00 BRD4 (0.39) BRD4TP53GAASMN1; SMN2BTK
SCHEMBL2944275 0.85 BRD4 (0.41) BRD4TP53GAASMN1; SMN2BTK
SCHEMBL2944277 0.85 BRD4 (0.41) BRD4TP53GAASMN1; SMN2BTK
SCHEMBL4206666 0.85 MAPT (0.46) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL14191226 0.84 F10 (0.37) GAASMN1; SMN2ALDH1A1F10PIK3CD
SCHEMBL380178 0.82 TSHR (0.41) GAASMN1; SMN2F10PIK3CDPOLB
SCHEMBL379433 0.82 TSHR (0.41) GAASMN1; SMN2F10PIK3CDPOLB
SCHEMBL379432 0.82 TSHR (0.41) GAASMN1; SMN2F10PIK3CDPOLB
SCHEMBL29865291 0.81 F10 (0.38) GAASMN1; SMN2F10PIK3CDPOLB
SCHEMBL2599905 0.81 F10 (0.39) GAASMN1; SMN2ALDH1A1F10PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
CN-100475777-C Amide type carboxamide derivative TANABE SEIYAKU CO (JP) 2009-04-08 CN disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-7375119-B2 Amide type carboxamide derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-20 US disclosed
CN-100344632-C Fused furan compound TANABE SEIYAKU CO (JP) 2007-10-24 CN disclosed
US-20060287329-A1 Amide type carboxamide derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-12-21 US disclosed
CN-1860097-A Amide-type carboxamide derivative TANABE SEIYAKU CO (JP) 2006-11-08 CN disclosed
EP-1666455-A1 AMIDE TYPE CARBOXAMIDE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 EP disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
CN-1723210-A Fused furan compound TANABE SEIYAKU CO (JP) 2006-01-18 CN disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 EP disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 EP 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 (5 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-20050282808-A1 Benzofuran derivative F12, F2, F11 BRD4 63/4885TP53 4650/4885GAA 3882/4885
US-20060287329-A1 Amide type carboxamide derivative F12, F11, F13A1 BRD4 306/4885TP53 4740/4885GAA 2610/4885
US-20090156803-A1 Condensed furan compounds F2, F12, F11 BRD4 195/4885TP53 3379/4885GAA 4223/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 BRD4 66/4885TP53 4644/4885GAA 3844/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 BRD4 198/4885TP53 3516/4885GAA 4234/4885

“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.