SCHEMBL9893394

SCHEMBL9893394

CC(C)OC(=O)c1cc(-c2ccc(F)cc2F)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
ACMSD Q8TDX5 2/20 0.64
TTR P02766 2/20 0.64
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
DHFR P00374 1/20 0.64
LMNA P02545 1/20 0.64
ALB P02768 1/20 0.64
HMGB1 P09429 1/20 0.64
CXCL12 P48061 1/20 0.64
KMT2A Q03164 1/20 0.64
HIF1A Q16665 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CA12 O43570 4/20 0.55
CA7 P43166 4/20 0.55

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
SCHEMBL10888678 0.90 ACMSD (0.61) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL410760 0.85 CA1 (0.69) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL3807219 0.85 ACMSD (0.55) CA1CA2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL15392057 0.85 ACMSD (0.55) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL12608936 0.83 ACMSD (0.75) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL10783826 0.83 CA1 (0.53) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL21562586 0.82 ACMSD (0.69) CA1CA2KDM4EALDH1A1HPGD
Acetic Acid SCHEMBL28030195 0.82 ACMSD (0.55) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL1818476 0.82 CA1 (0.64) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL9893460 0.82 ACMSD (0.64) CA1CA2KDM4EALDH1A1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2015-01-22 US disclosed
EP-2755645-A1 PHARMACEUTICAL COMBINATIONS INCLUDING ANTI-INFLAMMATORY AND ANTIOXIDANT CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS Genmedica Therapeutics SL (ES) 2014-07-23 EP disclosed
US-20130267726-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-10 US disclosed
US-8466197-B2 Thiocarbonates as anti-inflammatory and antioxidant compounds useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-06-18 US disclosed
WO-2013037985-A1 PHARMACEUTICAL COMBINATIONS INCLUDING ANTI-INFLAMMATORY AND ANTIOXIDANT CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPUTICS SL (ES) 2013-03-21 WO disclosed
WO-2012080371-A1 NEW THIOCARBONATES AS ANTI-INFLAMMATORY AND ANTIOXIDANT COMPOUNDS USEFUL FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPEUTICS SL (ES) 2012-06-21 WO disclosed
US-20120149769-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2012-06-14 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 (3 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-20130267726-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders CPT1B, LTC4S, TXNRD2 CA1 4299/4885CA2 2726/4885KDM4E 4746/4885
US-20120149769-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders CPT1B, LTC4S, TXNRD2 CA1 4299/4885CA2 2726/4885KDM4E 4746/4885
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders IAPP, AMY2A, GPR119 CA1 1993/4885CA2 1148/4885KDM4E 4229/4885

“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.