SCHEMBL2326953

SCHEMBL2326953

CCCCCCc1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
CA2 P00918 1/20 0.44
PYGL P06737 2/20 0.43
CYSLTR2 Q9NS75 4/20 0.43
CYSLTR1 Q9Y271 4/20 0.43
CYP2C9 P11712 1/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP12 P39900 2/20 0.41
MMP14 P50281 2/20 0.41
FOLH1 Q04609 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TACR3 P29371 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL2329801 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3CA2PYGL
SCHEMBL2326078 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3CA2PYGL
SCHEMBL2328207 0.99 CA2 (0.45) S1PR2S1PR1S1PR3CA2PYGL
SCHEMBL2329271 0.95 CA2 (0.46) S1PR2S1PR1S1PR3CA2PYGL
SCHEMBL2330698 0.91 CA2 (0.42) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2329726 0.90 CYSLTR2 (0.41) CA2PYGLCYSLTR2CYSLTR1MMP2
SCHEMBL2328069 0.90 CYSLTR2 (0.41) CA2PYGLCYSLTR2CYSLTR1MMP2
SCHEMBL2327440 0.90 CYSLTR2 (0.41) CA2PYGLCYSLTR2CYSLTR1MMP2
SCHEMBL2329721 0.90 CYSLTR2 (0.41) CA2PYGLCYSLTR2CYSLTR1MMP2
SCHEMBL2327437 0.90 CYSLTR2 (0.41) CA2PYGLCYSLTR2CYSLTR1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 EP 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-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 S1PR2 1648/4885S1PR1 1353/4885S1PR3 812/4885

“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.