SCHEMBL1300579

SCHEMBL1300579

COc1nc2c(cc1NCc1c(F)cc(F)cc1F)c(=O)c(C(=O)O)cn2C(CO)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ATP6V1B2 P21281 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ TARBP2 Q15633 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1300578 1.00 METTL3 (0.33) METTL3GSK3BLMNACYP2C9ATP6V1B2
SCHEMBL1300337 0.89 METTL3 (0.41) METTL3GSK3BLMNACYP2C9ATP6V1B2
SCHEMBL1300334 0.89 METTL3 (0.41) METTL3GSK3BLMNACYP2C9ATP6V1B2
SCHEMBL1299822 0.89 LMNA (0.33) GSK3BLMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL1299817 0.89 LMNA (0.33) GSK3BLMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL1301397 0.89 CISD1 (0.37) METTL3GSK3BLMNAKDM4EHTT
SCHEMBL1301391 0.89 CISD1 (0.37) METTL3GSK3BLMNAKDM4EHTT
SCHEMBL12110500 0.88 LMNA (0.33) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL12110911 0.85 LMNA (0.40) GSK3BLMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL1301223 0.84 LMNA (0.39) GSK3BLMNACYP2C9ATP6V1B2TBXA2R

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 claimed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US claimed
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

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 2709/4885GSK3B 524/4885LMNA 1312/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885GSK3B 524/4885LMNA 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.

Send feedback