SCHEMBL6763651

SCHEMBL6763651

CCC(N)c1cc(-c2ccccc2C(N)=O)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ NEK2 P51955 8/20 0.40
▸ PLK1 P53350 5/20 0.40
▸ AURKA O14965 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ TTK P33981 2/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ CTSA P10619 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ PDK2 Q15119 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
SCHEMBL6187361 0.76 BCAT2 (0.44) BCAT2ALOX5APFEN1CHEK1MAPK8
SCHEMBL31583298 0.74 BCAT2 (0.51) BCAT2ALOX5APFEN1CHEK1SCN9A
SCHEMBL27635469 0.73 BCAT2 (0.62) BCAT2ALOX5APFEN1CHEK1SCN9A
SCHEMBL6187171 0.73 BCAT2 (0.50) BCAT2ALOX5APFEN1CHEK1MAPK8
SCHEMBL27635470 0.73 BCAT2 (0.63) BCAT2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL5494348 0.73 MAPK8 (0.51) BCAT2CHEK1CTSAMAPK8MAPK10
SCHEMBL6763655 0.72 BCAT2 (0.43) BCAT2ALOX5APFEN1AURKACHEK1
SCHEMBL3262898 0.71 KDM4E (0.44) BCAT2PARP1
SCHEMBL12261511 0.71 MC4R (0.42) —
SCHEMBL1729214 0.71 MC4R (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 — — US disclosed
US-20020028943-A1 Multibinding inhibitors of microsomal triglyceride transferase protein THERAVANCE BIOPHARMA R&D IP, LLC 2002-03-07 — — US disclosed
US-6288234-B1 FLUORINATED HETEROCYCLIC AMIDO AMINE COMPOUNDS AS DRUGS ADVANCED MEDICINE, INC. 2001-09-11 — — 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 (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-20020028943-A1 Multibinding inhibitors of microsomal triglyceride transferase protein MTTP, CETP, HDLBP BCAT2 887/4885ALOX5AP 3441/4885FEN1 1409/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 BCAT2 1798/4885ALOX5AP 3061/4885FEN1 218/4885

“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.

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