SCHEMBL25801809

SCHEMBL25801809

CCCCc1cccc(-c2noc(CC(C(=O)OC(C)(C)C)P(C)(=O)OCC)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.38
SPHK1 Q9NYA1 5/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.37
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL25804839 0.92 SPHK2 (0.39) SPHK2SPHK1KCNH2TSHRLMNA
SCHEMBL25801780 0.90 SPHK1 (0.43) SPHK2SPHK1TSHRLMNARAB9A
SCHEMBL25801802 0.87 SPHK1 (0.46) SPHK2SPHK1
SCHEMBL25801818 0.87 MEN1 (0.40) LMNAKMT2A
SCHEMBL25801943 0.83 ACACB (0.45) TSHRLMNARAB9AMAPTSMN1; SMN2
SCHEMBL25804667 0.82 SPHK1 (0.43) SPHK2SPHK1TSHRLMNARAB9A
SCHEMBL25802138 0.81 LMNA (0.48) TSHRLMNAMAPTMAPK1SMN1; SMN2
SCHEMBL25801790 0.81 MEN1 (0.34) LMNAKMT2A
SCHEMBL25802128 0.81 LMNA (0.39) TSHRLMNARAB9AMAPTMAPK1
SCHEMBL25801755 0.81 HTT (0.48) TSHRLMNARAB9AMAPTMAPK1

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 SPHK2 3631/4885SPHK1 3875/4885KCNH2 4192/4885

“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.