SCHEMBL8924330

SCHEMBL8924330

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.60
▸ PPARG P37231 5/20 0.60
▸ CYP1A2 P05177 3/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ ABCB11 O95342 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ HTR2A P28223 2/20 0.60
▸ PMP22 Q01453 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ ADRB3 P13945 1/20 0.60
▸ CNR1 P21554 1/20 0.60

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
SCHEMBL13820539 0.91 PPARA (0.60) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL20704120 0.81 PPARA (0.68) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL12573936 0.81 PPARA (0.86) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL12573590 0.81 PPARA (0.67) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL15674282 0.80 PPARA (0.65) PPARAPPARGCYP1A2CYP3A4MEN1
Fenofibric Acid SCHEMBL10966358 0.79 PPARA (0.77) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL24177730 0.79 PPARA (0.68) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL10979186 0.79 PPARA (0.64) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL11156745 0.79 PPARA (0.68) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL8923382 0.79 PPARA (0.71) PPARAPPARGCYP1A2CYP3A4MEN1

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-20100069489-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-03-18 — — US disclosed
US-20100069446-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 3386/4885CYP1A2 4181/4885
US-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PPARA 1782/4885PPARG 3386/4885CYP1A2 4181/4885
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 PPARA 693/4885PPARG 926/4885CYP1A2 2425/4885
US-20100069489-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PPARA 1782/4885PPARG 3386/4885CYP1A2 4181/4885

“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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