Sugi Predict

Sugi Predict / Compounds / SCHEMBL13193162

SCHEMBL13193162

SCHEMBL13193162

CCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 1.00
▸ TERT O14746 3/20 0.69
▸ PTPN1 P18031 3/20 0.69
▸ PPARG P37231 3/20 0.69
▸ PPARD Q03181 3/20 0.69
▸ PPARA Q07869 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ BLM P54132 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ FABP4 P15090 2/20 0.69
▸ F7 P08709 2/20 0.69
▸ F3 P13726 2/20 0.69
▸ GMNN O75496 1/20 0.69
▸ USP2 O75604 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ APEX1 P27695 1/20 0.69

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
SCHEMBL13193158 0.87 EPHX2 (1.00) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL3707291 0.87 EPHX2 (0.77) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL16936139 0.87 EPHX2 (0.77) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL7883436 0.87 EPHX2 (0.77) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL4927236 0.86 PLA2G4A (0.82) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL4795104 0.86 PLA2G4A (0.82) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL7639137 0.86 EPHX2 (0.75) EPHX2
SCHEMBL7736793 0.86 EPHX2 (0.75) EPHX2
Sebacic Acid SCHEMBL30382131 0.86 EPHX2 (1.00) EPHX2MAPTBLMHSD17B10FABP4
SCHEMBL3704156 0.86 EPHX2 (0.88) EPHX2TERTMAPTBLMHSD17B10

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-9422318-B2 Epoxyeicosatrienoic acid analogs and methods of making and using the same THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2016-08-23 — — US disclosed
US-20150336916-A1 EPOXYEICOSATRIENOIC ACID ANALOGS AND METHODS OF MAKING AND USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-26 — — US disclosed
US-9127027-B2 Epoxyeicosatrienoic acid analogs and methods of making and using the same THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2015-09-08 — — US disclosed
US-20140113884-A1 EPOXYEICOSATRIENOIC ACID ANALOGS AND METHODS OF MAKING AND USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 — — US disclosed
WO-2012138706-A1 EPOXYEICOSATRIENOIC ACID ANALOGS AND METHODS OF MAKING AND USING THE SAME MCW RESEARCH FOUNDATION, INC. (US) 2012-10-11 — — WO 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-20150336916-A1 EPOXYEICOSATRIENOIC ACID ANALOGS AND METHODS OF MAKING AND USING THE SAME PTGER1, PTGES, PTGER2 EPHX2 24/4885TERT 1885/4885PTPN1 3884/4885
US-20140113884-A1 EPOXYEICOSATRIENOIC ACID ANALOGS AND METHODS OF MAKING AND USING THE SAME PTGER1, PTGES, PTGER2 EPHX2 24/4885TERT 1885/4885PTPN1 3884/4885

“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.