SCHEMBL5089060

SCHEMBL5089060

CCOCOc1ccc(C#N)cc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.48
PTGER1 P34995 3/20 0.43
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
PTGER2 P43116 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
CTSA P10619 1/20 0.38
C5AR1 P21730 1/20 0.38
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL5091309 0.88 PTGDR2 (0.45) PTGDR2PTGER1FNTAFNTBPGGT1B
SCHEMBL5099574 0.86 PTGDR2 (0.53) PTGDR2PTGER1FNTAFNTBPGGT1B
SCHEMBL5094116 0.85 FNTA (0.47) PTGDR2FNTAFNTBPGGT1BCTSA
SCHEMBL5089110 0.85 FNTA (0.42) PTGDR2CYP11B1CYP11B2GABRG2GABRB3
SCHEMBL5094188 0.83 FNTB (0.49) PTGDR2FNTAFNTBPGGT1BPDE4B
SCHEMBL5091227 0.81 PGGT1B (0.44) PTGDR2CYP11B2FNTAFNTBPGGT1B
SCHEMBL5098838 0.80 KCNH2 (0.43) PTGDR2FNTAFNTBPGGT1B
SCHEMBL5098821 0.79 PTGDR2 (0.44) PTGDR2PTGER1FNTAFNTBPGGT1B
SCHEMBL6996049 0.77 CYP2A6 (0.51) PTGDR2
SCHEMBL5098895 0.77 FNTB (0.54) PTGDR2FNTAFNTBPGGT1B

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-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 US disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 US 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 (3 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-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 PTGDR2 4612/4885PTGER1 3281/4885CYP11B1 547/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS PTGDR2 3285/4885PTGER1 1535/4885CYP11B1 248/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS PTGDR2 3106/4885PTGER1 697/4885CYP11B1 144/4885

“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.