SCHEMBL25801780

SCHEMBL25801780

CCCCc1ccc(-c2noc(CC(C(=O)OC(C)(C)C)P(C)(=O)OCC)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.43
SPHK2 Q9NRA0 1/20 0.41
S1PR1 P21453 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
S1PR2 O95136 1/20 0.40
S1PR3 Q99500 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
FFAR1 O14842 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 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
SCHEMBL25801802 0.97 SPHK1 (0.46) SPHK1SPHK2S1PR1S1PR2S1PR3
SCHEMBL25804667 0.92 SPHK1 (0.43) SPHK1SPHK2S1PR1NPSR1RAB9A
SCHEMBL25801987 0.91 SPHK1 (0.38) SPHK1SPHK2S1PR1NPSR1RAB9A
SCHEMBL25801809 0.90 SPHK2 (0.38) SPHK1SPHK2NPSR1RAB9ASMN1; SMN2
SCHEMBL25801981 0.90 S1PR4 (0.39) S1PR1NPSR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23578218 0.89 SPHK1 (0.47) SPHK1SPHK2S1PR1S1PR2S1PR3
SCHEMBL25801943 0.89 ACACB (0.45) S1PR1NPSR1RAB9ASMN1; SMN2S1PR3
SCHEMBL25801989 0.89 SPHK1 (0.40) SPHK1NPSR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25802138 0.88 LMNA (0.48) NPSR1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL25801790 0.88 MEN1 (0.34) TP53LMNA

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 SPHK1 3875/4885SPHK2 3631/4885S1PR1 2590/4885

“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.