SCHEMBL2945480

SCHEMBL2945480

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL379856 1.00 EPHX1 (0.43) EPHX1GAAALDH1A1POLBTSHR
SCHEMBL379857 1.00 EPHX1 (0.43) EPHX1GAAALDH1A1POLBTSHR
SCHEMBL2941952 0.75 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2941951 0.75 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL17872626 0.74 SMYD3 (0.40) EPHX1GAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL17872624 0.74 SMYD3 (0.40) EPHX1GAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL5792200 0.73
SCHEMBL26106230 0.73 POLB (0.46) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL26106226 0.73 POLB (0.46) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL9885094 0.73 ALDH1A1 (0.78) EPHX1GAAALDH1A1TSHRMEN1

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 17 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-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 EPHX1 3082/4885GAA 3882/4885ALDH1A1 683/4885
US-20060287329-A1 Amide type carboxamide derivative F12, F11, F13A1 EPHX1 3109/4885GAA 2610/4885ALDH1A1 884/4885
US-20090156803-A1 Condensed furan compounds F2, F12, F11 EPHX1 923/4885GAA 4223/4885ALDH1A1 1627/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 EPHX1 3031/4885GAA 3844/4885ALDH1A1 693/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 EPHX1 918/4885GAA 4234/4885ALDH1A1 1674/4885

“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.