SCHEMBL4604654

SCHEMBL4604654

CCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.54
PTPN1 P18031 2/20 0.54
HNF4A P41235 1/20 0.54
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
PKM P14618 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
TRPM2 O94759 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL4604659 1.00 ADORA3 (0.54) ADORA3PTPN1HNF4AKMT2ANPC1
SCHEMBL4606305 0.86 KCNA3 (0.46) ADORA3PTPN1HNF4AKMT2ANPC1
SCHEMBL4606313 0.86 KCNA3 (0.46) ADORA3PTPN1HNF4AKMT2ANPC1
SCHEMBL4604797 0.85 TRPM2 (0.47) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL4604795 0.85 TRPM2 (0.47) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL1829017 0.85 KDM4E (0.52) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL1825743 0.85 KDM4E (0.49) ADORA3PTPN1KMT2ANPC1RAB9A
SCHEMBL1825808 0.85 KDM4E (0.52) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL1825739 0.85 KDM4E (0.49) ADORA3PTPN1KMT2ANPC1RAB9A
SCHEMBL7532475 0.84 PTPN1 (0.58) ADORA3PTPN1HNF4AKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 WO disclosed
CN-1914152-B New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB 2010-06-09 CN disclosed
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
CN-1914152-A New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2007-02-14 CN disclosed
EP-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US disclosed
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 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-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH ADORA3 3288/4885PTPN1 4778/4885HNF4A 2254/4885
US-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 ADORA3 3166/4885PTPN1 2716/4885HNF4A 733/4885

“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.