SCHEMBL22915531

SCHEMBL22915531

CCCC[C@@H](Nc1cc(N)ncc1OCCCc1ccccc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.45
PPARG P37231 9/20 0.43
PTGES O14684 8/20 0.43
ALOX5 P09917 8/20 0.43
TRPC6 Q9Y210 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CNR2 P34972 1/20 0.40
PSEN1 P49768 1/20 0.39
LNPEP Q9UIQ6 3/20 0.39
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 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
SCHEMBL15470449 0.83 TLR7 (0.45) CTSKPPARGPTGESALOX5PSEN1
SCHEMBL15469737 0.83 TLR7 (0.45) CTSKPPARGPTGESALOX5PSEN1
SCHEMBL21769263 0.83 TLR7 (0.45) CTSKPPARGPTGESALOX5PSEN1
SCHEMBL21769268 0.79 KCNH2 (0.42) CTSKPPARGPTGESALOX5TRPC6
SCHEMBL21769215 0.71 CTSK (0.41) CTSKPPARGPTGESALOX5CNR2
SCHEMBL9824716 0.69 HDAC1 (0.55) ALOX5
SCHEMBL18265443 0.69 TAS1R3 (0.46) CNR2
SCHEMBL15469717 0.69 BRD4 (0.42) CTSKPTGESALOX5
SCHEMBL19269033 0.68 SIGMAR1 (0.44) CTSKPPARGPTGESALOX5SIGMAR1
SCHEMBL6249902 0.68 CTSK (0.62) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541050-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2023-01-03 US disclosed
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2021-01-28 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 (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-11541050-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 CTSK 3614/4885PPARG 1216/4885PTGES 2402/4885
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 CTSK 3614/4885PPARG 1216/4885PTGES 2402/4885

“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.