SCHEMBL1300558

SCHEMBL1300558

Cc1cc2c(cc1NCc1c(F)cc(F)cc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.35
▸ TOP1 P11387 3/20 0.33
▸ LMNA P02545 4/20 0.33
▸ HPGD P15428 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KDM4E B2RXH2 7/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ HTT P42858 3/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PIM1 P11309 1/20 0.31

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
SCHEMBL1300561 1.00 METTL3 (0.35) METTL3TOP1LMNAHPGDPOLB
SCHEMBL12110907 0.93 TOP1 (0.38) METTL3TOP1LMNAHPGDPOLB
SCHEMBL1301272 0.90 METTL3 (0.39) METTL3TOP1LMNAHPGDPOLB
SCHEMBL1301275 0.90 METTL3 (0.39) METTL3TOP1LMNAHPGDPOLB
SCHEMBL1300534 0.90 METTL3 (0.34) METTL3TOP1LMNAHPGDPOLB
SCHEMBL1300537 0.90 METTL3 (0.34) METTL3TOP1LMNAHPGDPOLB
SCHEMBL1300505 0.88 CISD1 (0.40) METTL3TOP1LMNAPOLBSMN1; SMN2
SCHEMBL1300507 0.88 CISD1 (0.40) METTL3TOP1LMNAPOLBSMN1; SMN2
SCHEMBL12110981 0.87 HSD17B10 (0.39) LMNAHPGDPIK3CDPIK3R1PIK3CA
SCHEMBL1302090 0.85 TOP1 (0.41) METTL3TOP1LMNAHPGDPOLB

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 4 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

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 METTL3 2709/4885TOP1 77/4885LMNA 1312/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885TOP1 77/4885LMNA 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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