Sugi Predict

Sugi Predict / Compounds / SCHEMBL5089110

SCHEMBL5089110

SCHEMBL5089110

CCOCOc1ccc(C#N)cc1-c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ PTGDR2 Q9Y5Y4 5/20 0.42
▸ SYK P43405 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ INCENP Q9NQS7 1/20 0.39
▸ KDM1A O60341 2/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ BCL9 O00512 3/20 0.36
▸ CTNNB1 P35222 3/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ PLAU P00749 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL5091227 0.89 PGGT1B (0.44) FNTAFNTBPTGDR2SYKAURKB
SCHEMBL5091309 0.85 PTGDR2 (0.45) FNTAFNTBPTGDR2SYKAURKB
SCHEMBL5089060 0.85 PTGDR2 (0.48) FNTAFNTBPTGDR2GABRG2GABRB3
SCHEMBL5098838 0.82 KCNH2 (0.43) FNTAFNTBPTGDR2SYKAURKB
SCHEMBL5098821 0.82 PTGDR2 (0.44) FNTAFNTBPTGDR2SYKAURKB
SCHEMBL5099574 0.81 PTGDR2 (0.53) FNTAFNTBPTGDR2
SCHEMBL5098895 0.79 FNTB (0.54) FNTAFNTBPTGDR2KDM1A
SCHEMBL5089214 0.79 FNTA (0.47) FNTAFNTBPTGDR2SYKAURKB
SCHEMBL5098841 0.78 FNTA (0.48) FNTAFNTBPTGDR2
SCHEMBL5094116 0.78 FNTA (0.47) FNTAFNTBPTGDR2SYK

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 FNTA 2/4885FNTB 1/4885PTGDR2 4612/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS FNTA 2/4885FNTB 1/4885PTGDR2 3285/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS FNTA 2/4885FNTB 1/4885PTGDR2 3106/4885

“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.