SCHEMBL2326554

SCHEMBL2326554

O=C(NC(CS(=O)(=O)O)C(=O)O)c1ccc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.55
KDM4C Q9H3R0 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HDAC1 Q13547 2/20 0.49
MGAM O43451 1/20 0.49
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2326561 1.00 ALDH1A1 (0.55) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL2330099 0.87 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL9230708 0.84 KDM4C (0.59) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL6444839 0.82 ALDH1A1 (0.58) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL8742462 0.82 GRN (0.71) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL2327074 0.82 ALDH1A1 (0.55) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL561849 0.82 ALDH1A1 (0.58) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL6654999 0.81 ALDH1A1 (0.54) ALDH1A1GAAMAPTKDM4CHDAC8
Hydrochloric Acid SCHEMBL4862500 0.81 ALDH1A1 (0.57) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL13471183 0.80 HDAC1 (0.53) ALDH1A1GAAMAPTKDM4CHDAC8

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 ALDH1A1 2655/4885GAA 1094/4885MAPT 4753/4885

“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.