Sugi Predict

Sugi Predict / Compounds / SCHEMBL8229837

SCHEMBL8229837

SCHEMBL8229837

COC(=O)N[C@H](C(=O)NNCc1ccc(OC(F)F)cc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.40
▸ LMNA P02545 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ ACACB O00763 2/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ ADAM17 P78536 1/20 0.35

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
SCHEMBL8228849 0.88 MEN1 (0.43) KMT2AEPHX2HTTMEN1ALDH1A1
SCHEMBL8231129 0.86 EPHX2 (0.46) ACACBEPHX2ALDH1A1NR1H4
SCHEMBL8228823 0.85 ESRRG (0.47) LMNAALDH1A1CYP2C19ALOX15GFER
SCHEMBL3526269 0.83 CTSS (0.39) PKMLMNAPOLBKMT2AMEN1
SCHEMBL3526717 0.83 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1CYP2C19ADAM17
SCHEMBL13326980 0.82 PREP (0.38) LMNAKMT2AACACBEPHX2MEN1
SCHEMBL8231235 0.79 PPID (0.42) ACACBALDH1A1
SCHEMBL3550377 0.78 LDHA (0.46) KMT2AEPHX2HTTMEN1ALDH1A1
SCHEMBL14530810 0.75 L3MBTL1 (0.40) PKMLMNAKMT2AACACBHTT
SCHEMBL13881053 0.75 CYP2D6 (0.41) POLBKMT2AMEN1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 — — US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 — — US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 — — US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 — — US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 — — US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 — — US disclosed
WO-2008011117-A2 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 — — 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-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME PKM 1931/4885LMNA 2818/4885POLB 533/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 PKM 2061/4885LMNA 2624/4885POLB 507/4885

“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.