SCHEMBL2328501

SCHEMBL2328501

CCCC(C(=O)NC(CS(=O)(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.49
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNQ2 O43526 2/20 0.44
GPR88 Q9GZN0 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ENPEP Q07075 2/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MAPT P10636 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
SCHEMBL2328505 1.00 MME (0.49) MMECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13583830 0.92 MME (0.54) MMEGPR88ENPEPPOLBCASP3
SCHEMBL2327976 0.90 ENPEP (0.41) MMECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2329919 0.90 MME (0.52) MMECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2328964 0.89 KCNQ2 (0.49) MMEKCNQ2HDAC3HDAC4HDAC1
SCHEMBL2328957 0.89 KCNQ2 (0.49) MMEKCNQ2HDAC3HDAC4HDAC1
SCHEMBL13583603 0.88 MMP8 (0.44) MMECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2330682 0.82 MME (0.57) MMECYP2C9GPR88ENPEPPOLB
SCHEMBL2330325 0.82 MME (0.49) MMEKCNQ2GPR88ENPEPPOLB
SCHEMBL13583033 0.81 MME (0.45) MMEGPR88POLBCASP3

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 MME 4624/4885CYP1A2 1195/4885CYP3A4 2531/4885

“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.