SCHEMBL21178902

SCHEMBL21178902

CC(C)N(C(C)C)P(OCc1ccc(F)cc1F)N(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
MAOB P27338 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR6 P50406 1/20 0.35
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RIPK1 Q13546 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2A P28223 2/20 0.34
MAPK14 Q16539 5/20 0.33
HTR2C P28335 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL21178109 0.85 L3MBTL1 (0.39) SLC6A4SLC6A2SLC6A3SMN1; SMN2ALDH1A1
SCHEMBL22801234 0.85 IDO1 (0.39) IDO1AGXTMAOBSLC6A4SLC6A2
SCHEMBL21178033 0.85 SLC6A2 (0.35) IDO1AGXTSLC6A4SLC6A2SLC6A3
SCHEMBL22801228 0.82 DPP4 (0.40) SLC6A4HTR2AHTR2C
SCHEMBL21178203 0.81 IDO1 (0.46) IDO1MAOBSLC6A2SLC6A3SMN1; SMN2
SCHEMBL21178854 0.79 RIPK1 (0.33) RIPK1
SCHEMBL21178110 0.79 MMP1 (0.30)
SCHEMBL21177998 0.77 IDO1 (0.42) IDO1AGXTMAOBSLC6A4SLC6A2
SCHEMBL21178030 0.75 IDO1 (0.49) IDO1AGXTMAOBSLC6A2SLC6A3
SCHEMBL21178000 0.73 IDO1 (0.42) IDO1MAOB

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.