Sugi Predict

Sugi Predict / Compounds / SCHEMBL12715082

SCHEMBL12715082

SCHEMBL12715082

O=C(OCCOCCOCCOCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.91
▸ CYP1A2 P05177 1/20 0.91
▸ CYP2C9 P11712 1/20 0.91
▸ CYP2C19 P33261 1/20 0.91
▸ YAP1 P46937 1/20 0.63
▸ TEAD4 Q15561 1/20 0.63
▸ TEAD2 Q15562 1/20 0.63
▸ RXFP1 Q9HBX9 4/20 0.62
▸ SIRT2 Q8IXJ6 2/20 0.56
▸ MPO P05164 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ GRIK1 P39086 1/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ HTR2A P28223 1/20 0.48

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
Etofenamate SCHEMBL25152 0.96 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19YAP1
Etofenamate SCHEMBL6836167 0.92 LMNA (0.92) LMNACYP1A2CYP2C9CYP2C19YAP1
Ufenamate SCHEMBL36095 0.87 CYP1A2 (0.72) LMNACYP1A2CYP2C9CYP2C19YAP1
Ufenamate SCHEMBL29376700 0.87 CYP1A2 (0.72) LMNACYP1A2CYP2C9CYP2C19YAP1
SCHEMBL10597386 0.87 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19YAP1
SCHEMBL3812938 0.86 LMNA (0.70) LMNACYP1A2CYP2C9CYP2C19YAP1
Colfenamate SCHEMBL29462552 0.85 LMNA (0.68) LMNACYP1A2CYP2C9CYP2C19YAP1
Colfenamate SCHEMBL2110641 0.85 LMNA (0.68) LMNACYP1A2CYP2C9CYP2C19YAP1
SCHEMBL4563521 0.85 LMNA (0.68) LMNACYP1A2CYP2C9CYP2C19YAP1
SCHEMBL11579676 0.84 LMNA (0.67) LMNACYP1A2CYP2C9CYP2C19YAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504753-B2 Nanometer-sized prodrugs of NSAIDs CEDARS-SINAI MEDICAL CENTER (US) 2016-11-29 — — US disclosed
US-9504753-B2 Nanometer-sized prodrugs of NSAIDs CEDARS-SINAI MEDICAL CENTER (US) 2016-11-29 — — US disclosed
US-20160045620-A1 USE OF NANOMETER-SIZED PRODRUGS OF NSAIDs TO TREAT TRAUMATIC BRAIN INJURY CEDARS-SINAI MEDICAL CENTER (US) 2016-02-18 — — US disclosed
US-20160045620-A1 USE OF NANOMETER-SIZED PRODRUGS OF NSAIDs TO TREAT TRAUMATIC BRAIN INJURY CEDARS-SINAI MEDICAL CENTER (US) 2016-02-18 — — US disclosed
WO-2014172663-A1 NANOMETER-SIZED PRODRUGS OF NSAIDS TO TREAT TRAUMATIC BRAIN INJURY CEDARS-SINAI MEDICAL CENTER (US) 2014-10-23 — — WO disclosed
US-20140140931-A1 ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER CEDARS-SINAI MEDICAL CENTER (US) 2014-05-22 — — US disclosed
US-20140140931-A1 ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER CEDARS-SINAI MEDICAL CENTER (US) 2014-05-22 — — US disclosed
US-20140105822-A1 NANOSPHERES COMPRISING TOCOPHEROL, AN AMPHIPHILIC SPACER AND A THERAPEUTIC OR IMAGING AGENT CEDARS-SINAI MEDICAL CENTER (US) 2014-04-17 — — US disclosed
US-20140105822-A1 NANOSPHERES COMPRISING TOCOPHEROL, AN AMPHIPHILIC SPACER AND A THERAPEUTIC OR IMAGING AGENT CEDARS-SINAI MEDICAL CENTER (US) 2014-04-17 — — US disclosed
WO-2013016696-A1 ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER CEDARS-SINAI MEDICAL CENTER (US) 2013-01-31 — — WO disclosed
US-20110086073-A1 NANOMETER-SIZED PRODRUGS OF NSAIDs CEDARS-SINAI MEDICAL CENTER (US) 2011-04-14 — — US disclosed
US-20110086073-A1 NANOMETER-SIZED PRODRUGS OF NSAIDs CEDARS-SINAI MEDICAL CENTER (US) 2011-04-14 — — US disclosed
WO-2009148698-A1 NANOMETER-SIZED PRODRUGS OF NSAIDS CEDARS-SINAI MEDICAL CENTER (US) 2009-12-10 — — 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 (4 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-20140105822-A1 NANOSPHERES COMPRISING TOCOPHEROL, AN AMPHIPHILIC SPACER AND A THERAPEUTIC OR IMAGING AGENT TTPA, NFE2, GSTK1 LMNA 599/4885CYP1A2 1216/4885CYP2C9 2577/4885
US-20110086073-A1 NANOMETER-SIZED PRODRUGS OF NSAIDs PTGS1, NFKBIA, NOS1 LMNA 1784/4885CYP1A2 175/4885CYP2C9 186/4885
US-20140140931-A1 ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER NLN, CASP12, GPX4 LMNA 271/4885CYP1A2 3218/4885CYP2C9 3251/4885
US-20160045620-A1 USE OF NANOMETER-SIZED PRODRUGS OF NSAIDs TO TREAT TRAUMATIC BRAIN INJURY PTGS1, PTGS2, PTGES3 LMNA 3328/4885CYP1A2 213/4885CYP2C9 498/4885

“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.