SCHEMBL6130110

SCHEMBL6130110

CCCCCCCCc1ccc(CCC(CO)(CO)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.46
S1PR1 P21453 4/20 0.46
S1PR4 O95977 3/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR5 Q9H228 2/20 0.46
SGPL1 O95470 1/20 0.46
GPR183 P32249 1/20 0.46
CERS2 Q96G23 1/20 0.46
SPHK2 Q9NRA0 3/20 0.45
MBOAT4 Q96T53 1/20 0.45
S1PR2 O95136 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
PLK1 P53350 3/20 0.43
PLK3 Q9H4B4 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6528663 0.97 RARB (0.46) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL6130104 0.93 SPHK2 (0.42) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL16202275 0.86 MEN1 (0.45) S1PR1S1PR3MEN1KMT2A
SCHEMBL2466970 0.82 S1PR1 (0.59) S1PR1MBOAT4MEN1KMT2A
SCHEMBL6130094 0.81 CETP (0.43) S1PR1S1PR4S1PR3S1PR5MBOAT4
SCHEMBL6237747 0.81 S1PR1 (0.50) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL21298653 0.80 TNNC1 (0.46) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL34468480 0.79 CYP19A1 (0.46)
SCHEMBL8496762 0.79 S1PR1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8501555 0.79 S1PR1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315735-A4 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO INC (US) 2005-04-06 EP disclosed
WO-2005014603-A1 PHOSPHINANE COMPOUNDS WITH IMMUNOMODULATING ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed
EP-1315735-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
US-6437165-B1 USEFUL FOR TREATING IMMUNE MEDIATED DISEASES AND CONDITIONS, SUCH AS BONE MARROW, ORGAN AND TISSUE TRANSPLANT REJECTION. MERCK & CO., INC. 2002-08-20 US disclosed
US-20020091105-A1 Phosphate derivatives as immunoregulatory agents MERCK & CO., INC. 2002-07-11 US disclosed
WO-2002018395-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO., INC. (US) 2002-03-07 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-20020091105-A1 Phosphate derivatives as immunoregulatory agents ALPP, PPIP5K2, ALPI TNNC1 2550/4885S1PR1 382/4885S1PR4 499/4885

“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.