SCHEMBL4415273

SCHEMBL4415273

C=CCc1cccc([C]=O)c1[C]=N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
AKR1B1 P15121 1/20 0.33
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 2/20 0.31
ALOX12 P18054 1/20 0.31
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 3/20 0.30
HSD17B10 Q99714 3/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4952691 0.89 GABRA1 (0.44) GABRA1GABRB2AKR1B1KMT2AMAPT
SCHEMBL173732 0.81 GABRA1 (0.42) GABRA1GABRB2AKR1B1LMNAALDH1A1
SCHEMBL14765210 0.80 GABRA1 (0.43) GABRA1GABRB2AKR1B1KMT2AMAPT
SCHEMBL28883079 0.74 GABRA1 (0.47) GABRA1GABRB2AKR1B1KMT2AMAPT
SCHEMBL11500601 0.74 GABRA1 (0.44) GABRA1GABRB2AKR1B1KMT2AMAPT
SCHEMBL8655295 0.73 GABRA1 (0.43) GABRA1GABRB2AKR1B1KMT2AMAPT
SCHEMBL31185609 0.73 GABRA1 (0.43) GABRA1GABRB2AKR1B1KMT2AMAPT
SCHEMBL2162652 0.71 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMAPT
SCHEMBL4850001 0.69 CA2 (0.33) MAPTL3MBTL1LMNAALDH1A1KDM4E
SCHEMBL5700106 0.69 TSHR (0.35) ALDH1A1

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
US-20090082392-A1 Substituted Carboxylic Acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2009-03-26 US claimed
US-7358364-B2 treatment of diabetes and/or cancer; useful in the treatment of syndrome X; capable of inhibiting Protein tyrosine phosphatase THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
EP-1805159-A1 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP claimed
JP-2006525329-A 2006-11-09 JP claimed
CN-1812977-A Substituted carboxylic acids INST PHARMACEUTICAL DISCOVERY (US) 2006-08-02 CN claimed
WO-2006050212-A1 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2006-05-11 WO claimed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
US-20040266788-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-30 US claimed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
US-20090082392-A1 Substituted Carboxylic Acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2009-03-26 US disclosed
US-7358364-B2 treatment of diabetes and/or cancer; useful in the treatment of syndrome X; capable of inhibiting Protein tyrosine phosphatase THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
EP-1805159-A1 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP disclosed
CN-1812977-A Substituted carboxylic acids INST PHARMACEUTICAL DISCOVERY (US) 2006-08-02 CN disclosed
WO-2006050212-A1 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2006-05-11 WO disclosed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
US-20040266788-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-30 US disclosed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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-20040266788-A1 Substituted carboxylic acids PTP4A1, PTPRS, G6PC1 GABRA1 1689/4885GABRB2 1733/4885AKR1B1 293/4885
US-20090082392-A1 Substituted Carboxylic Acids PTPRJ, PTPRS, PTPRG GABRA1 1666/4885GABRB2 1396/4885AKR1B1 299/4885

“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.