SCHEMBL22915512

SCHEMBL22915512

CCCC[C@](N)(O)CCO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMPD1 P17405 3/20 0.34
TNNC1 P63316 5/20 0.32
S1PR1 P21453 2/20 0.32
SGPL1 O95470 1/20 0.32
S1PR4 O95977 1/20 0.32
GPR183 P32249 1/20 0.32
CERS2 Q96G23 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
GGPS1 O95749 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
SCHEMBL3032913 0.93 SMN1; SMN2 (0.43) FDPSALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL21903334 0.91 LMNA (0.46) FDPSALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL14840328 0.89 FDPS (0.48) FDPSALDH1A1LMNATSHRSMPD1
SCHEMBL22915511 0.84
SCHEMBL4368580 0.84 FDPS (0.44) FDPSSMPD1GGPS1
SCHEMBL999922 0.84 FDPS (0.48) FDPSSMPD1GGPS1
SCHEMBL4631586 0.83 SMN1; SMN2 (0.57) FDPSALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL25218451 0.81
SCHEMBL6151052 0.79
SCHEMBL1271337 0.79 FDPS (0.52) FDPSTSHRSMPD1GGPS1

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 FDPS 47/4885ALDH1A1 1826/4885SMN1; SMN2 3359/4885
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 FDPS 47/4885ALDH1A1 1826/4885SMN1; SMN2 3359/4885

“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.