SCHEMBL21178019

SCHEMBL21178019

CCCCCCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.37
CA2 P00918 9/20 0.36
CA1 P00915 8/20 0.36
CA9 Q16790 7/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
DNM1 Q05193 3/20 0.35
RECQL P46063 2/20 0.35
TSHR P16473 2/20 0.35
CES2 O00748 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL21178108 1.00 SPHK1 (0.37) SPHK1CA2CA1CA9CA12
SCHEMBL22801258 1.00 SPHK1 (0.37) SPHK1CA2CA1CA9CA12
SCHEMBL18817977 1.00 SPHK1 (0.37) SPHK1CA2CA1CA9CA12
SCHEMBL21178189 0.98 CA1 (0.34) SPHK1CA2CA1CA9CA12
SCHEMBL4342842 0.91 ADRB2 (0.33) CA2CA1TSHR
SCHEMBL31465154 0.83 SPHK1 (0.37) SPHK1CA2CA1CA9CA12
SCHEMBL31465159 0.83 SPHK1 (0.37) SPHK1CA2CA1CA9CA12
SCHEMBL20709888 0.83 SPHK1 (0.37) SPHK1CA2CA1CA9CA12
SCHEMBL31465182 0.83 SPHK1 (0.37) SPHK1CA2CA1CA9CA12
SCHEMBL17445651 0.82 SPHK1 (0.36) SPHK1CA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294565-A1 UNNATURAL CONFIGURATION NUCLEOTIDE PRODRUG COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED 2024-09-05 US disclosed
WO-2022245584-A1 UNNATURAL CONFIGURATION NUCLEOTIDE PRODRUG COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2022-11-24 WO disclosed
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 (3 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 SPHK1 3492/4885CA2 4877/4885CA1 4686/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 SPHK1 3320/4885CA2 4877/4885CA1 4556/4885
US-20240294565-A1 UNNATURAL CONFIGURATION NUCLEOTIDE PRODRUG COMPOUNDS PNP, NUDT1, ENTPD5 SPHK1 288/4885CA2 3668/4885CA1 3853/4885

“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.