SCHEMBL7083174

SCHEMBL7083174

CCCCOC(=O)CCC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.56
P2RY10 O00398 8/20 0.52
GPR34 Q9UPC5 3/20 0.52
DGKA P23743 1/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GSR P00390 1/20 0.47
CYP1A2 P05177 1/20 0.47
GRIK1 P39086 1/20 0.47
GRM5 P41594 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIN1 Q05586 1/20 0.47

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
SCHEMBL345915 1.00 NOD1 (0.56) NOD1P2RY10GPR34DGKASLC1A3
SCHEMBL18974248 1.00 NOD1 (0.56) NOD1P2RY10GPR34DGKASLC1A3
Hydrochloric Acid SCHEMBL8725898 0.98 NOD1 (0.55) NOD1P2RY10GPR34DGKASLC1A3
SCHEMBL30557 0.95 NOD1 (0.62) NOD1P2RY10GPR34DGKAHTR2C
SCHEMBL17537069 0.95 NOD1 (0.62) NOD1P2RY10GPR34DGKAHTR2C
SCHEMBL4414480 0.94 NOD1 (0.52) NOD1P2RY10GPR34DGKADDAH1
SCHEMBL17537068 0.93 NOD1 (0.64) NOD1P2RY10GPR34DGKAHTR2C
SCHEMBL17010720 0.93 NOD1 (0.64) NOD1P2RY10GPR34DGKAHTR2C
SCHEMBL17537066 0.93 NOD1 (0.64) NOD1P2RY10GPR34DGKAHTR2C
SCHEMBL7351258 0.93 NOD1 (0.64) NOD1P2RY10GPR34DGKAHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220482-A1 Novel peptide antagonist of CXCR4 derived from the N-terminus of the viral chemokine vMIP-II HUANG ZIWEI (US) 2003-11-27 US claimed
EP-1171152-A4 vMIP-II PEPTIDE ANTAGONISTS OF CXCR4 UNIV JEFFERSON (US) 2002-09-25 EP claimed
EP-1171152-A1 vMIP-II PEPTIDE ANTAGONISTS OF CXCR4 Thomas Jefferson University (US) 2002-01-16 EP claimed
WO-2001056591-A1 vMIP-II PEPTIDE ANTAGONISTS OF CXCR4 THOMAS JEFFERSON UNIVERSITY (US) 2001-08-09 WO claimed
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 US disclosed
EP-3214081-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Kangpu Biopharmaceuticals, Ltd. (CN) 2017-09-06 EP disclosed
WO-2016065980-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 康朴生物医药技术(上海)有限公司 2016-05-06 WO disclosed
CN-1256336-C Novel 4'-demethyl-4'-0-substituted-1-deoxypodophyllotoxin derivative and geometric isomer thereof, process for preparation thereof and anti-cancer composition comprising same KIM SONG BAE (KR) 2006-05-17 CN disclosed
CN-1474822-A Novel 4'-demethyl-4'-0-substituted-1-deoxypodophyllotoxin derivative and geometric isomer thereof, process for preparation thereof and anti-cancer composition comprising same 2004-02-11 CN disclosed
US-20030220482-A1 Novel peptide antagonist of CXCR4 derived from the N-terminus of the viral chemokine vMIP-II HUANG ZIWEI (US) 2003-11-27 US disclosed
EP-1171152-A4 vMIP-II PEPTIDE ANTAGONISTS OF CXCR4 UNIV JEFFERSON (US) 2002-09-25 EP disclosed
EP-1171152-A1 vMIP-II PEPTIDE ANTAGONISTS OF CXCR4 Thomas Jefferson University (US) 2002-01-16 EP disclosed
WO-2001056591-A1 vMIP-II PEPTIDE ANTAGONISTS OF CXCR4 THOMAS JEFFERSON UNIVERSITY (US) 2001-08-09 WO disclosed
WO-1998022457-A9 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS 1998-08-20 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-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 NOD1 215/4885P2RY10 1278/4885GPR34 1936/4885
US-20030220482-A1 Novel peptide antagonist of CXCR4 derived from the N-terminus of the viral chemokine vMIP-II CCL2, CCL5, CCR5 NOD1 760/4885P2RY10 2645/4885GPR34 363/4885

“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.