Sugi Predict

Sugi Predict / Compounds / SCHEMBL3346444

SCHEMBL3346444

SCHEMBL3346444

CCOC(=O)C(C)c1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.42
▸ TRPC5 Q9UL62 4/20 0.40
▸ ACACB O00763 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ELANE P08246 2/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ AVPR1B P47901 1/20 0.37
▸ CCKAR P32238 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL3346475 0.92 ACACB (0.41) PPARGACACBLMNASMN1; SMN2ALDH1A1
SCHEMBL3347817 0.86 ELANE (0.45) PPARGTRPC5TRPA1GRIN1GRIN2B
SCHEMBL3379857 0.85 KDM5A (0.43) PPARGTRPC5TRPA1GRIN1GRIN2B
SCHEMBL3474781 0.80 PDE10A (0.44) PPARGTRPC5SMN1; SMN2TRPA1GRIN1
SCHEMBL3346267 0.80 PPARG (0.49) PPARGTRPC5TRPA1GRIN1GRIN2B
SCHEMBL3433560 0.77 MAPK14 (0.46) PPARGTRPC5TRPA1GRIN1GRIN2B
SCHEMBL3352916 0.77 ELANE (0.45) PPARGACACBELANE
SCHEMBL3475796 0.77 TRPC5 (0.46) TRPC5GRIN1GRIN2B
SCHEMBL3377951 0.76 MAPK14 (0.45) PPARGTRPC5TRPA1GRIN1GRIN2B
SCHEMBL3434956 0.76 ALDH1A1 (0.54) PPARGTRPC5LMNAGRIN1GRIN2B

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
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 — — US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 — — US claimed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 — — WO claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 — — US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 — — US disclosed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 — — WO disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — 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 (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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 PPARG 1545/4885TRPC5 44/4885ACACB 1738/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 PPARG 1545/4885TRPC5 44/4885ACACB 1738/4885

“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.