SCHEMBL23007751

SCHEMBL23007751

CCCCCc1ccc(NC(=O)C(CSSCC(NC(=O)OC(C)(C)C)C(=O)Nc2ccc(CCCCC)cc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.54
SPHK2 Q9NRA0 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CTSK P43235 1/20 0.46
S1PR4 O95977 3/20 0.46
S1PR1 P21453 3/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR5 Q9H228 3/20 0.46

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
SCHEMBL30143661 0.88 SPHK1 (0.67) SPHK1SPHK2S1PR4S1PR1S1PR3
SCHEMBL29880747 0.86 SPHK1 (0.56) SPHK1SPHK2CTSKS1PR4S1PR1
SCHEMBL1312367 0.86 SPHK1 (0.60) SPHK1SPHK2CTSKS1PR4S1PR1
SCHEMBL1315000 0.84 SPHK1 (0.62) SPHK1SPHK2CTSKS1PR4S1PR1
SCHEMBL13181089 0.81 HPGD (0.57) SPHK1THRATHRBS1PR1
SCHEMBL21049585 0.80 SPHK1 (0.59) SPHK1SPHK2THRATHRBS1PR1
SCHEMBL1314104 0.80 PPARA (0.52) CTSK
SCHEMBL15014088 0.77 NPC1 (0.62) SPHK1THRATHRB
SCHEMBL23007748 0.76 SPHK1 (0.76) SPHK1SPHK2S1PR4S1PR1S1PR3
SCHEMBL5454624 0.76 CTSK (0.55) CTSKS1PR1

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-20230114304-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 US disclosed
WO-2021030703-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-18 WO 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-20230114304-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF LIPA, LCAT, SGMS2 SPHK1 492/4885SPHK2 510/4885THRA 4776/4885

“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.