SCHEMBL1302090

SCHEMBL1302090

CC(C)(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(NCc3c(F)cccc3F)c(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.41
▸ METTL3 Q86U44 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HTT P42858 4/20 0.36
▸ CD38 P28907 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33

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
SCHEMBL1302092 1.00 TOP1 (0.41) TOP1METTL3LMNAPOLBHPGD
SCHEMBL12110907 0.92 TOP1 (0.38) TOP1METTL3LMNAPOLBHPGD
SCHEMBL1300506 0.87 TOP1 (0.43) TOP1METTL3LMNAPOLBHPGD
SCHEMBL1300503 0.87 TOP1 (0.43) TOP1METTL3LMNAPOLBHPGD
SCHEMBL1301016 0.86 TOP1 (0.38) TOP1METTL3LMNAPOLBHPGD
SCHEMBL1301018 0.86 TOP1 (0.38) TOP1METTL3LMNAPOLBHPGD
SCHEMBL1300561 0.85 METTL3 (0.35) TOP1METTL3LMNAPOLBHPGD
SCHEMBL1300558 0.85 METTL3 (0.35) TOP1METTL3LMNAPOLBHPGD
SCHEMBL1301272 0.84 METTL3 (0.39) TOP1METTL3LMNAPOLBHPGD
SCHEMBL1301275 0.84 METTL3 (0.39) TOP1METTL3LMNAPOLBHPGD

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP TOP1 77/4885METTL3 2709/4885LMNA 1312/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP TOP1 77/4885METTL3 2709/4885LMNA 1312/4885

“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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