SCHEMBL21178189

SCHEMBL21178189

CCCCCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.34
CA2 P00918 9/20 0.34
CA9 Q16790 8/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
RECQL P46063 2/20 0.32
DNM1 Q05193 2/20 0.32
CES2 O00748 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32

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 0.98 SPHK1 (0.37) CA1CA2CA9SPHK1CA12
SCHEMBL18817977 0.98 SPHK1 (0.37) CA1CA2CA9SPHK1CA12
SCHEMBL22801258 0.98 SPHK1 (0.37) CA1CA2CA9SPHK1CA12
SCHEMBL21178019 0.98 SPHK1 (0.37) CA1CA2CA9SPHK1CA12
SCHEMBL4342842 0.93 ADRB2 (0.33) CA1CA2TSHR
SCHEMBL31465159 0.81 SPHK1 (0.37) CA1CA2CA9SPHK1CA12
SCHEMBL31465182 0.81 SPHK1 (0.37) CA1CA2CA9SPHK1CA12
SCHEMBL20709888 0.81 SPHK1 (0.37) CA1CA2CA9SPHK1CA12
SCHEMBL31465154 0.81 SPHK1 (0.37) CA1CA2CA9SPHK1CA12
SCHEMBL17445651 0.79 SPHK1 (0.36) CA1CA2CA9SPHK1CA12

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 CA1 4686/4885CA2 4877/4885CA9 4190/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 CA1 4556/4885CA2 4877/4885CA9 4260/4885

“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.