SCHEMBL9893460

SCHEMBL9893460

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.64
TTR P02766 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
ALDH1A1 P00352 1/20 0.64
DHFR P00374 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
LMNA P02545 1/20 0.64
ALB P02768 1/20 0.64
HMGB1 P09429 1/20 0.64
HPGD P15428 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
EGFR P00533 1/20 0.42
APP P05067 2/20 0.39

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
SCHEMBL27976054 0.85 ACMSD (0.63) ACMSDTTRKDM4EMEN1USP2
SCHEMBL410760 0.85 CA1 (0.69) ACMSDTTRKDM4EMEN1USP2
SCHEMBL20570435 0.84 EGFR (0.50) ACMSDTTRKDM4EMEN1USP2
SCHEMBL2271964 0.83 TTR (0.46) ACMSDTTRKDM4EMEN1USP2
SCHEMBL10001186 0.82 ACMSD (0.69) ACMSDTTRKDM4EMEN1USP2
SCHEMBL1818476 0.82 CA1 (0.64) ACMSDTTRKDM4EMEN1USP2
SCHEMBL9893394 0.82 CA1 (0.64) ACMSDTTRKDM4EMEN1USP2
SCHEMBL14344780 0.81 EGFR (0.52) ACMSDDHFRCA1CA2EGFR
SCHEMBL12608936 0.80 ACMSD (0.75) ACMSDTTRKDM4EMEN1USP2
Diflunisal SCHEMBL28632857 0.80 ACMSD (0.84) ACMSDTTRKDM4EMEN1USP2

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 ACMSD 2460/4885TTR 558/4885KDM4E 4746/4885
US-20120149769-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders CPT1B, LTC4S, TXNRD2 ACMSD 2460/4885TTR 558/4885KDM4E 4746/4885
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders IAPP, AMY2A, GPR119 ACMSD 1884/4885TTR 2294/4885KDM4E 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.