SCHEMBL1301244

SCHEMBL1301244

COc1nc2c(cc1NCc1ccccc1C(F)(F)F)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.44
▸ CD38 P28907 2/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ P2RX7 Q99572 4/20 0.40
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ DHODH Q02127 1/20 0.35

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
SCHEMBL1301241 1.00 METTL3 (0.44) METTL3CD38ACP1CYP3A4P2RX7
SCHEMBL1301276 0.91 METTL3 (0.47) METTL3GAAMEN1KMT2AKDM4E
SCHEMBL1301270 0.91 METTL3 (0.47) METTL3GAAMEN1KMT2AKDM4E
SCHEMBL1301294 0.89 METTL3 (0.51) METTL3CD38MEN1KMT2AKDM4E
SCHEMBL1301301 0.89 METTL3 (0.51) METTL3CD38MEN1KMT2AKDM4E
SCHEMBL1300641 0.88 METTL3 (0.44) METTL3CD38CYP3A4MEN1HPGD
SCHEMBL1300646 0.88 METTL3 (0.44) METTL3CD38CYP3A4MEN1HPGD
SCHEMBL1301707 0.88 METTL3 (0.49) METTL3CD38P2RX7KMT2AKDM4E
SCHEMBL1301713 0.88 METTL3 (0.49) METTL3CD38P2RX7KMT2AKDM4E
SCHEMBL1300548 0.87 ASPH (0.41) METTL3ACP1KDM4EASPHKDM8

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 2709/4885CD38 211/4885ACP1 593/4885

“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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