SCHEMBL2328019

SCHEMBL2328019

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.52
CA1 P00915 7/20 0.52
ACE P12821 2/20 0.49
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
PTPN1 P18031 1/20 0.48
SLC1A2 P43004 1/20 0.46

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
SCHEMBL2328024 1.00 CA2 (0.52) CA2CA1ACECTSBCTSS
SCHEMBL2326366 0.92 HPGDS (0.54) CA2CA1CTSBCTSSPTPN1
SCHEMBL2326371 0.92 HPGDS (0.54) CA2CA1CTSBCTSSPTPN1
SCHEMBL13583721 0.88 HDAC8 (0.53)
SCHEMBL13583720 0.88 HDAC8 (0.53)
SCHEMBL10658891 0.86 CA2 (0.51) CA2CA1
SCHEMBL5381522 0.86 CA2 (0.60) CA2CA1
SCHEMBL10658899 0.86 CA2 (0.51) CA2CA1
SCHEMBL27822898 0.84 GAA (0.51) CA2CA1CTSBCTSSCTSL
SCHEMBL2330340 0.84 GAA (0.51) CA2CA1CTSBCTSSCTSL

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 9 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-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 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 (2 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-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 CA2 894/4885CA1 3718/4885ACE 4638/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 CA2 2926/4885CA1 4797/4885ACE 4738/4885

“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.