SCHEMBL4673987

SCHEMBL4673987

Cc1ccc(SCC(=NO)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 3/20 0.57
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 4/20 0.45
RECQL P46063 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
FKBP1A P62942 1/20 0.44
PKM P14618 2/20 0.43

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
SCHEMBL4673984 1.00 CTBP2 (0.57) CTBP2KMT2AMEN1USP2HPGD
SCHEMBL4677259 0.82 NPC1 (0.49) KMT2AMEN1USP2HPGDL3MBTL1
SCHEMBL4677261 0.82 NPC1 (0.49) KMT2AMEN1USP2HPGDL3MBTL1
SCHEMBL4677112 0.81 SMN1; SMN2 (0.44) CTBP2KMT2AMEN1USP2HPGD
SCHEMBL4677116 0.81 SMN1; SMN2 (0.44) CTBP2KMT2AMEN1USP2HPGD
SCHEMBL4677954 0.79 RAB9A (0.53) KMT2AMEN1USP2HPGDL3MBTL1
SCHEMBL4677949 0.79 RAB9A (0.53) KMT2AMEN1USP2HPGDL3MBTL1
SCHEMBL1660160 0.77 FFAR1 (0.65) KMT2AMEN1USP2HPGDL3MBTL1
SCHEMBL4674189 0.76 ALDH1A1 (0.53) KMT2AMEN1HPGDHTTRAB9A
SCHEMBL4674194 0.76 ALDH1A1 (0.53) KMT2AMEN1HPGDHTTRAB9A

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
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP claimed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP claimed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP claimed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US claimed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 WO claimed
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-6608196-B2 Structurally diverse; parallel approach GALILEO PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20030100750-A1 Process for solid supported synthesis of pyruvate-derived compounds EDISON PHARMACEUTICALS, INC. 2003-05-29 US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 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 (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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 CTBP2 4183/4885KMT2A 3599/4885MEN1 4674/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 CTBP2 4413/4885KMT2A 2023/4885MEN1 4453/4885
US-20030100750-A1 Process for solid supported synthesis of pyruvate-derived compounds PC, PDK4, PDK1 CTBP2 3002/4885KMT2A 1621/4885MEN1 2070/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 CTBP2 4413/4885KMT2A 2023/4885MEN1 4453/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 CTBP2 4413/4885KMT2A 2023/4885MEN1 4453/4885

“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.