SCHEMBL25801920

SCHEMBL25801920

CCCCCCCCc1cnc(CC(C(=O)OC(C)(C)C)P(C)(=O)OCC)s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
SRC P12931 1/20 0.35
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
S1PR4 O95977 4/20 0.33
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 4/20 0.33
S1PR5 Q9H228 4/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
SLC5A2 P31639 2/20 0.30

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
SCHEMBL25805496 0.91 FDPS (0.36) FDPSSRCADRB2ADRB1ADRB3
SCHEMBL25801858 0.84 NPSR1 (0.43) NPSR1
SCHEMBL25801937 0.80 MEN1 (0.33)
SCHEMBL25801861 0.80 BCHE (0.35) ADRB3
SCHEMBL25801743 0.78 LMNA (0.41) NPSR1
SCHEMBL25801870 0.77 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL25801754 0.75 SRC (0.34) SRC
SCHEMBL25801747 0.75 S1PR2 (0.32) SRCS1PR1S1PR3
SCHEMBL25801915 0.75 SRC (0.34) SRC
SCHEMBL25805081 0.74 NPSR1 (0.44) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 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 (1 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 FDPS 2011/4885SRC 4647/4885ADRB2 1068/4885

“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.