SCHEMBL6885650

SCHEMBL6885650

CC(C)(C)OC(=O)CC[C@@H](NC(=O)c1ccc(NCCc2ccccc2)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
GART P22102 1/20 0.40
TYMS P04818 2/20 0.40
CTSL P07711 1/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CTSK P43235 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
PSMB5 P28074 1/20 0.38
DHFR P00374 1/20 0.38
NPR3 P17342 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PAX8 Q06710 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6885646 1.00 POLB (0.41) POLBGARTTYMSCTSLMAPT
SCHEMBL6885924 0.85 TYMS (0.37) GARTTYMSMAPTTDP1DHFR
SCHEMBL6885928 0.85 TYMS (0.37) GARTTYMSMAPTTDP1DHFR
SCHEMBL9724176 0.84 TYMS (0.38) GARTTYMSTDP1DHFRCYP3A4
SCHEMBL9724178 0.84 TYMS (0.38) GARTTYMSTDP1DHFRCYP3A4
SCHEMBL6885648 0.81 TYMS (0.47) POLBTYMSMAPTTDP1PSMB5
SCHEMBL9782470 0.80 ALOX5 (0.36) TYMSMAPTTDP1DHFRMAPK14
SCHEMBL8721880 0.80 ALOX5 (0.36) TYMSMAPTTDP1DHFRMAPK14
SCHEMBL9228554 0.80 ALOX5 (0.36) TYMSMAPTTDP1DHFRMAPK14
SCHEMBL8722807 0.76 ITGA4 (0.43) POLBMAPTTDP1MEN1KMT2A

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 POLB 1565/4885GART 230/4885TYMS 22/4885

“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.