SCHEMBL13143940

SCHEMBL13143940

O=C(NCCS(=O)(=O)O)c1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.53
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ RCE1 Q9Y256 1/20 0.48
▸ MT-CO2 P00403 6/20 0.46
▸ PTGS1 P23219 3/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ UGT1A9 O60656 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ CXCL8 P10145 1/20 0.46
▸ UGT1A6 P19224 1/20 0.46
▸ UGT1A1 P22309 1/20 0.46
▸ CXCR1 P25024 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ AGTR2 P50052 1/20 0.46
▸ NR1I3 Q14994 1/20 0.46
▸ SLC22A6 Q4U2R8 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
SCHEMBL12608897 0.86 MT-CO2 (0.61) PTGS2KDM4EALDH1A1RCE1MT-CO2
SCHEMBL12608889 0.86 PTGS2 (0.74) PTGS2MT-CO2PTGS1AKR1B10ABCB11
SCHEMBL13679149 0.82 PTGS2 (0.58) PTGS2MT-CO2PTGS1AKR1B10UGT1A9
SCHEMBL12651566 0.80 CA12 (0.65) PTGS2MT-CO2PTGS1AKR1B10UGT1A9
SCHEMBL12608894 0.79 MT-CO2 (0.60) PTGS2ALDH1A1MT-CO2PTGS1AKR1B10
SCHEMBL9735209 0.76 FTO (0.56) PTGS2MT-CO2PTGS1AKR1B10UGT1A9
SCHEMBL22481354 0.74 PTGS2 (0.52) PTGS2KDM4EALDH1A1CXCL8
SCHEMBL12041029 0.73 NAAA (0.60) KDM4EALDH1A1POLBGAATSHR
SCHEMBL12608932 0.73 KDM4E (0.57) PTGS2KDM4EALDH1A1MT-CO2POLB
SCHEMBL374641 0.73 FTO (0.71) PTGS2MT-CO2PTGS1AKR1B10ABCB11

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
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 — — US disclosed
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 — — US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 — — US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 — — US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 — — US 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 PTGS2 169/4885KDM4E 3003/4885ALDH1A1 160/4885
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders HSD17B14, SORD, GPX4 PTGS2 169/4885KDM4E 3003/4885ALDH1A1 160/4885

“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.

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