SCHEMBL771244

SCHEMBL771244

[CH2]CC(=O)N1CCN(C(=O)OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.41
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 3/20 0.37
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL20617537 0.82 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL8603867 0.82
SCHEMBL5543470 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL6043729 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL13472660 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL771532 0.79 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL13672766 0.79 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL772776 0.79 CYP2D6 (0.45) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL8488026 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL8488022 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
US-6844366-B2 Sulfonamide hydroxamates SYNTEX (U.S.A.) LLC (US) 2005-01-18 US disclosed
US-6787559-B2 HYDROXYCARBONYL OR ALKYLOXYCARBONYL OR AMINOHYDROXYCARBONYL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PROCOLLAGEN C-PROTENASE INHIBITOR SYNTEX (U.S.A.) LLC. 2004-09-07 US disclosed
EP-1149072-B1 SULFONAMIDE HYDROXAMATES HOFFMANN LA ROCHE (CH) 2004-06-30 EP disclosed
US-20030216405-A1 Hydroxycarbonyl or alkyloxycarbonyl or aminohydroxycarbonyl substituted sulfonamide compounds useful as procollagen C-protenase inhibitor BILLLEDEAU ROLAND JOSEPH (US) 2003-11-20 US disclosed
US-20030199520-A1 Sulfonamide hydroxamates BILLLEDEAU ROLAND JOSEPH (US) 2003-10-23 US disclosed
US-6492394-B1 PROCOLLAGEN C-PROTEINASE INHIBITORS; TREATING FIBROTIC DISEASES SYNTEX (U.S.A.) LLC 2002-12-10 US disclosed
EP-1149072-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000037436-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-29 WO disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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-20030216405-A1 Hydroxycarbonyl or alkyloxycarbonyl or aminohydroxycarbonyl substituted sulfonamide compounds useful as procollagen C-protenase inhibitor CTSE, PREP, HPN ALDH1A1 3050/4885SMN1; SMN2 2079/4885POLB 815/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885SMN1; SMN2 4306/4885POLB 77/4885
US-20030199520-A1 Sulfonamide hydroxamates MMP3, TIMP3, MMP13 ALDH1A1 2158/4885SMN1; SMN2 2128/4885POLB 2518/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 ALDH1A1 351/4885SMN1; SMN2 4399/4885POLB 308/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885SMN1; SMN2 4306/4885POLB 77/4885

“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.