SCHEMBL3179775

SCHEMBL3179775

CC(C)(C)OC(=O)COc1ncc(-c2ccccc2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
ALOX5AP P20292 4/20 0.40
FEN1 P39748 4/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HIF1A Q16665 1/20 0.39
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
GRIN2B Q13224 4/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ENPP2 Q13822 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3177344 0.81 FFAR1 (0.46) ALOX5APFEN1MAPTGSK3AGSK3B
SCHEMBL3169981 0.78 PTPN1 (0.47) PTPN1ALOX5APFEN1MAPTLMNA
SCHEMBL3172789 0.75 ALDH1A1 (0.40) PTPN1ALOX5APFEN1MAPTALDH1A1
SCHEMBL3179028 0.73 CCNB2 (0.38) PTPN1ALOX5APFEN1MAPTLMNA
SCHEMBL5659634 0.69 CXCR1 (0.58) ALDH1A1NPC1RAB9A
SCHEMBL22656552 0.69 POLB (0.50) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL28305621 0.69 PTPN1 (0.63) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL2448079 0.68 ALOX15 (0.57) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL18864110 0.68 DDB1 (0.44) PTPN1ALOX5APFEN1MAPTLMNA
SCHEMBL27776102 0.68 L3MBTL1 (0.52) PTPN1MAPTLMNAPOLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 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 (1 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 PTPN1 2335/4885ALOX5AP 378/4885FEN1 2945/4885

“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.