SCHEMBL6885648

SCHEMBL6885648

CN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 0.47
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
DHFR P00374 1/20 0.38
POLB P06746 1/20 0.38
PSMB5 P28074 1/20 0.38

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
SCHEMBL8722824 0.81 TYMS (0.37) TYMS
SCHEMBL6885646 0.81 POLB (0.41) TYMSMEN1KMT2AMAPTTDP1
SCHEMBL6885650 0.81 POLB (0.41) TYMSMEN1KMT2AMAPTTDP1
SCHEMBL8723947 0.80 TYMS (0.35) TYMS
SCHEMBL8721880 0.79 ALOX5 (0.36) TYMSMAPTTDP1DHFR
SCHEMBL9228554 0.79 ALOX5 (0.36) TYMSMAPTTDP1DHFR
SCHEMBL9782470 0.79 ALOX5 (0.36) TYMSMAPTTDP1DHFR
SCHEMBL6885928 0.78 TYMS (0.37) TYMSMAPTTDP1DHFR
SCHEMBL6885924 0.78 TYMS (0.37) TYMSMAPTTDP1DHFR
SCHEMBL9782611 0.76 ITGA4 (0.43) ALDH1A1MEN1KMT2AMAPTTDP1

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 22/4885HCRTR1 3157/4885ALDH1A1 1479/4885

“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.