SCHEMBL2328207

SCHEMBL2328207

CCCCCc1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
PYGL P06737 3/20 0.44
CYP2C9 P11712 2/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP12 P39900 2/20 0.40
MMP14 P50281 2/20 0.40
FOLH1 Q04609 3/20 0.39
MME P08473 1/20 0.38
TACR3 P29371 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
SCHEMBL2329801 0.99 S1PR2 (0.46) CA2S1PR2S1PR1S1PR3PYGL
SCHEMBL2326078 0.99 S1PR2 (0.46) CA2S1PR2S1PR1S1PR3PYGL
SCHEMBL2326953 0.99 S1PR2 (0.46) CA2S1PR2S1PR1S1PR3PYGL
SCHEMBL2329271 0.96 CA2 (0.46) CA2S1PR2S1PR1S1PR3PYGL
SCHEMBL2330698 0.92 CA2 (0.42) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2326565 0.89 CA12 (0.41) CA2PYGLCYP2C9CYSLTR2CYSLTR1
SCHEMBL2326571 0.89 CA12 (0.41) CA2PYGLCYP2C9CYSLTR2CYSLTR1
SCHEMBL2327891 0.89 CA2 (0.43) CA2PYGLCYP2C9FNTAFNTB
SCHEMBL2329726 0.88 CYSLTR2 (0.41) CA2PYGLCYSLTR2CYSLTR1CA12
SCHEMBL2329721 0.88 CYSLTR2 (0.41) CA2PYGLCYSLTR2CYSLTR1CA12

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 CA2 2926/4885S1PR2 1648/4885S1PR1 1353/4885

“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.