SCHEMBL2329544

SCHEMBL2329544

CCCOC(=O)[C@H](CCS(=O)(=O)O)NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
CYP26A1 O43174 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
ALDH1A1 P00352 1/20 0.40
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
BCL2L1 Q07817 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 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
SCHEMBL2331418 0.93 CLPP (0.44) CLPPCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2326177 0.92 CLPP (0.47) CLPPCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2328659 0.90 CLPP (0.44) CLPPCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2324932 0.90 CLPP (0.48) CLPPCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2327345 0.84 CYP26A1 (0.50) CYP26A1MEN1KMT2AGAATAS1R3
SCHEMBL2333528 0.84 CHRNB2 (0.47) CLPPCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2327909 0.84 FNTA (0.52) CLPPKMT2A
SCHEMBL2327912 0.84 FNTA (0.52) CLPPKMT2A
SCHEMBL2330575 0.84 ALDH1A1 (0.50) KMT2AALDH1A1POLBTAS1R3TAS1R1
SCHEMBL13822289 0.82 TDP1 (0.41) MEN1KMT2AALDH1A1GAATAS1R3

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 CLPP 4826/4885CHRNB2 2543/4885CHRNB4 2033/4885

“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.