SCHEMBL1301311

SCHEMBL1301311

COc1nc2c(cc1NCc1cc(F)cc(F)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.45
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ STAT6 P42226 1/20 0.31
▸ RIPK1 Q13546 2/20 0.31
▸ LMNA P02545 1/20 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
▸ PDE10A Q9Y233 1/20 0.30
▸ PIM1 P11309 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
SCHEMBL1301312 1.00 METTL3 (0.45) METTL3JAK2JAK3GSK3BSTAT6
SCHEMBL1300337 0.91 METTL3 (0.41) METTL3JAK2JAK3GSK3BLMNA
SCHEMBL1300334 0.91 METTL3 (0.41) METTL3JAK2JAK3GSK3BLMNA
SCHEMBL1300644 0.91 METTL3 (0.43) METTL3JAK3GSK3BLMNAPDE10A
SCHEMBL1301563 0.91 METTL3 (0.45) METTL3JAK2JAK3GSK3BSTAT6
SCHEMBL1301560 0.91 METTL3 (0.45) METTL3JAK2JAK3GSK3BSTAT6
SCHEMBL1300638 0.91 METTL3 (0.43) METTL3JAK3GSK3BLMNAPDE10A
SCHEMBL1301707 0.90 METTL3 (0.49) METTL3GSK3BSTAT6PDE10A
SCHEMBL1301713 0.90 METTL3 (0.49) METTL3GSK3BSTAT6PDE10A
SCHEMBL1300298 0.90 METTL3 (0.43) METTL3GSK3BLMNACYP2C9ATP6V1B2

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-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

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 2709/4885JAK2 4141/4885JAK3 3556/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885JAK2 4141/4885JAK3 3556/4885

“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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