SCHEMBL8923382

SCHEMBL8923382

C[C@@H](OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)[C@H](N)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.71
▸ PPARG P37231 5/20 0.71
▸ CNR1 P21554 5/20 0.71
▸ CYP1A2 P05177 3/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ MAPT P10636 2/20 0.71
▸ CYP2C19 P33261 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ ABCB11 O95342 2/20 0.71
▸ TSHR P16473 2/20 0.71
▸ HTR2A P28223 2/20 0.71
▸ PMP22 Q01453 2/20 0.71
▸ HPGD P15428 2/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ ADORA3 P0DMS8 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ ADRB3 P13945 1/20 0.71

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
Fenofibrate SCHEMBL4670 0.83 PPARA (1.00) PPARAPPARGCNR1CYP1A2CYP3A4
Fenofibrate SCHEMBL3876232 0.83 PPARA (1.00) PPARAPPARGCNR1CYP1A2CYP3A4
Fenofibrate SCHEMBL29262792 0.82 PPARA (0.97) PPARAPPARGCNR1CYP1A2CYP3A4
Fenofibrate SCHEMBL21758490 0.82 PPARA (0.97) PPARAPPARGCNR1CYP1A2CYP3A4
Fenofibrate SCHEMBL22209064 0.82 PPARA (0.97) PPARAPPARGCNR1CYP1A2CYP3A4
Fenofibrate SCHEMBL27847067 0.82 PPARA (0.97) PPARAPPARGCNR1CYP1A2CYP3A4
Fenofibrate SCHEMBL29262793 0.82 PPARA (0.97) PPARAPPARGCNR1CYP1A2CYP3A4
SCHEMBL31084127 0.80 PPARA (0.92) PPARAPPARGCNR1CYP1A2CYP3A4
SCHEMBL31084128 0.80 PPARA (0.92) PPARAPPARGCNR1CYP1A2CYP3A4
Fenofibric Acid SCHEMBL4756701 0.79 PPARA (0.94) PPARAPPARGCNR1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563776-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2013-10-22 — — US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 — — US disclosed
US-8188311-B2 L-threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-29 — — US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 — — US disclosed
US-20100069446-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-03-18 — — US disclosed
US-20100069489-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-03-18 — — US disclosed
US-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-01-07 — — US disclosed
US-7589233-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2009-09-15 — — US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 — — 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-20100069446-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PPARA 1782/4885PPARG 3386/4885CNR1 3999/4885
US-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PPARA 1782/4885PPARG 3386/4885CNR1 3999/4885
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 PPARA 693/4885PPARG 926/4885CNR1 965/4885
US-20100069489-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PPARA 1782/4885PPARG 3386/4885CNR1 3999/4885

“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.

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