Sugi Predict

Sugi Predict / Compounds / SCHEMBL6934106

SCHEMBL6934106

SCHEMBL6934106

CC(C)Cc1ccc(C2(c3ccccc3)OC(=O)C(O)=C2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.39
▸ PTGS1 P23219 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ CXCR1 P25024 2/20 0.39
▸ CXCR2 P25025 2/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ ALB P02768 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ NR1I3 Q14994 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ BLM P54132 1/20 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
SCHEMBL6026158 0.82 CFTR (0.50) LMNACYP2C9ESR1TSHRMAPT
SCHEMBL6026464 0.81 EGFR (0.43) LMNAESR1TSHRMAPTRAB9A
SCHEMBL7987727 0.80 MMP1 (0.38) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL6926579 0.80 MMP1 (0.38) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL7973252 0.80 MMP1 (0.38) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL20714885 0.78 CFTR (0.67) LMNACYP2C9ESR1TSHRMAPT
SCHEMBL6931641 0.76 PTGS2 (0.34) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL6026268 0.75 CFTR (0.39) LMNAESR1TSHRAKR1C2NFKB1
SCHEMBL7956413 0.72 CFTR (0.39) PTGS1LMNACYP2C9ESR1TSHR
SCHEMBL7966642 0.72 CYP1A2 (0.41) LMNAESR1TSHRMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246811-B1 METHODS FOR RESOLVING RACEMIC MIXTURES OF 5-SUBSTITUTED 4-HYDROXY-2-FURANONES OXIS ISLE OF MAN LTD (GB) 2003-12-03 — — EP disclosed
US-6613919-B2 Resolution with enantiomerically pure bases such as cinchonidine by forming a salt; also 3,4-dihydroxy-2(5H)-furanones OXIS ISLE OF MAN 2003-09-02 — — US disclosed
US-20030065196-A1 Method for resolving racemic mixtures of 5-substituted 4-hydroxy-2-furanones OXIS ISLE OF MAN 2003-04-03 — — US disclosed
EP-1246811-A1 METHODS FOR RESOLVING RACEMIC MIXTURES OF 5-SUBSTITUTED 4-HYDROXY-2-FURANONES OXIS Isle of Man, Limited (GB) 2002-10-09 — — EP disclosed
US-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 — — US disclosed
WO-2001049671-A1 METHODS FOR RESOLVING RACEMIC MIXTURES OF 5-SUBSTITUTED 4-HYDROXY-2-FURANONES OXIS ISLE OF MAN, LIMITED (US) 2001-07-12 — — WO disclosed
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 — — US disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 — — 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 (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-20030065196-A1 Method for resolving racemic mixtures of 5-substituted 4-hydroxy-2-furanones ADH1C, SRD5A2, SRD5A1 PTGS2 720/4885PTGS1 751/4885LMNA 633/4885

“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.