SCHEMBL1301826

SCHEMBL1301826

COc1nc2c(cc1NCc1ccc(F)c(F)c1F)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.45
▸ GSK3B P49841 2/20 0.33
▸ KDM4C Q9H3R0 2/20 0.32
▸ GPR6 P46095 1/20 0.32
▸ P2RX7 Q99572 2/20 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
▸ 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
SCHEMBL1301823 1.00 METTL3 (0.45) METTL3GSK3BKDM4CGPR6P2RX7
SCHEMBL1301713 0.93 METTL3 (0.49) METTL3GSK3BGPR6P2RX7
SCHEMBL1301707 0.93 METTL3 (0.49) METTL3GSK3BGPR6P2RX7
SCHEMBL1301384 0.91 METTL3 (0.43) METTL3GSK3BP2RX7RIPK1LMNA
SCHEMBL1301388 0.91 METTL3 (0.43) METTL3GSK3BP2RX7RIPK1LMNA
SCHEMBL1301563 0.91 METTL3 (0.45) METTL3GSK3BKDM4CP2RX7RIPK1
SCHEMBL1300638 0.91 METTL3 (0.43) METTL3GSK3BLMNAPIM1
SCHEMBL1300644 0.91 METTL3 (0.43) METTL3GSK3BLMNAPIM1
SCHEMBL1301560 0.91 METTL3 (0.45) METTL3GSK3BKDM4CP2RX7RIPK1
SCHEMBL1301270 0.90 METTL3 (0.47) METTL3GSK3B

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885GSK3B 524/4885KDM4C 494/4885

“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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