SCHEMBL5099650

SCHEMBL5099650

N#Cc1ccc(C(=O)COc2ccc(C#N)cc2-c2ccc3c(c2)OC(F)(F)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.47
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
GSK3B P49841 1/20 0.38
PGGT1B P53609 1/20 0.38
PTGER1 P34995 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5093174 0.83 MAPT (0.58) PTGDR2MAPTUSP2FNTAFNTB
SCHEMBL5089021 0.81 PTGDR2 (0.53) PTGDR2MAPTUSP2FNTAFNTB
SCHEMBL5098943 0.79 PTGDR2 (0.56) PTGDR2MAPTUSP2GSK3BPTGER1
SCHEMBL5089214 0.79 FNTA (0.47) PTGDR2FNTAFNTBPGGT1B
SCHEMBL5091199 0.78 PTGDR2 (0.59) PTGDR2MAPTUSP2PTGER1TDP1
SCHEMBL5091226 0.78 PTGDR2 (0.53) PTGDR2MAPTUSP2GSK3BALDH1A1
SCHEMBL5088958 0.78 PTGDR2 (0.50) PTGDR2MAPTUSP2CTNNB1PGGT1B
SCHEMBL5094242 0.76 PTGDR2 (0.55) PTGDR2MAPTUSP2GSK3BPTGER1
SCHEMBL5098954 0.76 PTGDR2 (0.55) PTGDR2MAPTUSP2FNTAFNTB
SCHEMBL5099579 0.75 PTGDR2 (0.64) PTGDR2MAPTUSP2FNTAFNTB

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 6 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
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 EP 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 4612/4885MAPT 2757/4885USP2 3378/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS PTGDR2 3285/4885MAPT 2033/4885USP2 2916/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS PTGDR2 3106/4885MAPT 2623/4885USP2 2801/4885

“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.