SCHEMBL2947935

SCHEMBL2947935

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ATF4 P18848 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL2947936 1.00 NPSR1 (0.45) NPSR1ALDH1A1POLBLMNAGAA
SCHEMBL2943580 0.82 NPSR1 (0.40) NPSR1ALDH1A1POLBLMNAGAA
SCHEMBL2943583 0.82 NPSR1 (0.40) NPSR1ALDH1A1POLBLMNAGAA
SCHEMBL2944522 0.81 POLB (0.43) NPSR1ALDH1A1POLBGAASMN1; SMN2
SCHEMBL2944520 0.81 POLB (0.43) NPSR1ALDH1A1POLBGAASMN1; SMN2
SCHEMBL2951976 0.80 POLB (0.45) NPSR1ALDH1A1POLBGAASMN1; SMN2
SCHEMBL2951974 0.80 POLB (0.45) NPSR1ALDH1A1POLBGAASMN1; SMN2
SCHEMBL17740990 0.79 NPSR1 (0.61) NPSR1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL26106226 0.79 POLB (0.46) NPSR1ALDH1A1POLBGAASMN1; SMN2
SCHEMBL26106230 0.79 POLB (0.46) NPSR1ALDH1A1POLBGAASMN1; SMN2

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 15 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
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
US-20060287329-A1 Amide type carboxamide derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-12-21 US 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
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 NPSR1 1260/4885ALDH1A1 683/4885POLB 1902/4885
US-20060287329-A1 Amide type carboxamide derivative F12, F11, F13A1 NPSR1 1754/4885ALDH1A1 884/4885POLB 4132/4885
US-20090156803-A1 Condensed furan compounds F2, F12, F11 NPSR1 2396/4885ALDH1A1 1627/4885POLB 2463/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 NPSR1 1207/4885ALDH1A1 693/4885POLB 1805/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 NPSR1 2530/4885ALDH1A1 1674/4885POLB 3282/4885

“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.