Sugi Predict

Sugi Predict / Compounds / SCHEMBL2522173

SCHEMBL2522173

SCHEMBL2522173

O=C(NCc1cc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)ccc1F)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.37
▸ POLB P06746 3/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTGES O14684 1/20 0.33

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
SCHEMBL2524299 0.95 MTOR (0.37) MTORPOLBEPHX2LMNAKMT2A
SCHEMBL2520969 0.93 TRPA1 (0.34) MTORPOLBEPHX2LMNAKMT2A
SCHEMBL2521783 0.92 MTOR (0.38) MTORPOLBEPHX2LMNAKMT2A
SCHEMBL2523120 0.89 MTOR (0.34) MTORPOLB
SCHEMBL2521753 0.88 RAB9A (0.36) POLBLMNAALDH1A1
SCHEMBL15803905 0.88 EPHX2 (0.38) POLBEPHX2LMNAKMT2AGAA
SCHEMBL2518670 0.88 EPHX2 (0.38) POLBEPHX2LMNAKMT2AGAA
SCHEMBL2521265 0.85 PDE3B (0.35) KMT2AALDH1A1KDM4EMEN1
SCHEMBL14234006 0.84 EPHX2 (0.37) MTORPOLBEPHX2LMNAKMT2A
SCHEMBL14233826 0.84 BIRC5 (0.38) POLBEPHX2LMNAKMT2AGAA

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-2556060-A1 SUBSTITUTED 3,5- DIPHENYL-ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES AH USA 42 LLC (US) 2013-02-13 — — EP claimed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 — — WO claimed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 — — US claimed
EP-2556060-A1 SUBSTITUTED 3,5- DIPHENYL-ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES AH USA 42 LLC (US) 2013-02-13 — — EP disclosed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 — — WO disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 — — US disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 — — US disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 — — 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-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES CYP4X1, COL1A1, RDX MTOR 3940/4885POLB 1501/4885EPHX2 2866/4885

“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.