SCHEMBL6883468

SCHEMBL6883468

CC(C)(C)OC(=O)CC[C@H](NC(=O)c1ccc(NCc2ccccc2)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.46
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ DHFR P00374 1/20 0.42
▸ KDR P35968 2/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL6883472 1.00 TYMS (0.46) TYMSHDAC1HDAC8HDAC6DHFR
SCHEMBL6886329 0.80 HDAC1 (0.44) HDAC1HDAC6KDRLNPEP
SCHEMBL6886320 0.80 HDAC1 (0.44) HDAC1HDAC6KDRLNPEP
SCHEMBL9088141 0.77 HDAC1 (0.49) HDAC1MAPTMEN1KMT2ANPSR1
SCHEMBL6887180 0.77 CLPP (0.43) KDRMAPTNPSR1
SCHEMBL6887186 0.77 CLPP (0.43) KDRMAPTNPSR1
SCHEMBL8725881 0.76 TYMS (0.45) TYMSKDR
SCHEMBL27728858 0.75 PTPRC (0.62) ROCK2MAPTMEN1KMT2A
SCHEMBL6885646 0.75 POLB (0.41) TYMSDHFRMAPTMEN1KMT2A
SCHEMBL6885650 0.75 POLB (0.41) TYMSDHFRMAPTMEN1KMT2A

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-20040259878-A1 Fluoromethotrexates and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-12-23 — — 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-20040259878-A1 Fluoromethotrexates and uses therefor MTX1, DHFR, SLC46A1 TYMS 22/4885HDAC1 2847/4885HDAC8 1398/4885

“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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