SCHEMBL21177998

SCHEMBL21177998

CC(C)N(C(C)C)P(OCc1ccc(F)cc1)N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
AGXT P21549 2/20 0.42
MAOB P27338 8/20 0.37
MAOA P21397 2/20 0.37
TRPA1 O75762 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
APP P05067 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
AOC3 Q16853 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL21177999 0.84 TDP1 (0.33) IDO1TAAR1CA2
SCHEMBL22801232 0.83 TAAR1 (0.42) MAOBMAOATRPA1TAAR1AOC3
SCHEMBL22801194 0.82 IDO1 (0.52) IDO1
SCHEMBL1060869 0.82 IDO1 (0.42) IDO1AGXTMAOBMAOAAPP
SCHEMBL21178000 0.82 IDO1 (0.42) IDO1MAOB
SCHEMBL2252915 0.81 TSHR (0.41) IDO1AGXTMAOATAAR1CA1
SCHEMBL21179052 0.81 MAOB (0.39) MAOBMAOA
SCHEMBL21178030 0.80 IDO1 (0.49) IDO1AGXTMAOBMAOATAAR1
SCHEMBL22801183 0.80 TAAR1 (0.40) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL22801241 0.79 APP (0.41) APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427550-B2 5-fluorouracil compounds NUCORION PHARMACEUTICALS, INC. (US) 2022-08-30 US disclosed
US-20200399227-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. 2020-12-24 US disclosed
WO-2019143860-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2019-07-25 WO 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 (2 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-20200399227-A1 5-FLUOROURACIL COMPOUNDS DPYD, DHFR, FAU IDO1 4055/4885AGXT 791/4885MAOB 846/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 IDO1 3948/4885AGXT 926/4885MAOB 808/4885

“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.