SCHEMBL2326569

SCHEMBL2326569

CCC(=O)c1ccccc1C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
USP2 O75604 2/20 0.51
TSHR P16473 1/20 0.51
FNTA P49354 3/20 0.51
FNTB P49356 3/20 0.51
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.50
PGGT1B P53609 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL2326573 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2327000 0.90 FNTA (0.52) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2327003 0.90 FNTA (0.52) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2329469 0.88 FNTA (0.45) ALDH1A1TSHRFNTAFNTBMAPK1
SCHEMBL2329890 0.88 ALDH1A1 (0.56) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2329886 0.88 ALDH1A1 (0.56) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2334449 0.86 FNTA (0.55) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2334454 0.86 FNTA (0.55) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2330957 0.85 ALDH1A1 (0.54) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL2330953 0.85 ALDH1A1 (0.54) ALDH1A1NPSR1CA2CA1USP2

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 2655/4885NPSR1 2477/4885CA2 2926/4885

“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.