SCHEMBL10077533

SCHEMBL10077533

C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.56
PPARD Q03181 2/20 0.56
FFAR1 O14842 2/20 0.55
PPARG P37231 4/20 0.54
EPHX2 P34913 2/20 0.54
GRB2 P62993 1/20 0.49
TBXAS1 P24557 2/20 0.48
ACE P12821 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FPR2 P25090 1/20 0.47
SRD5A2 P31213 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ADAMTS4 O75173 1/20 0.45

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
SCHEMBL14947065 1.00 PPARA (0.56) PPARAPPARDFFAR1PPARGEPHX2
SCHEMBL13235809 0.86 ADAMTS4 (0.45) PPARAPPARDFFAR1PPARGEPHX2
SCHEMBL11237591 0.84 TBXAS1 (0.59) FFAR1TBXAS1ACE
SCHEMBL934143 0.84 EPHX1 (0.45) PPARAPPARDFFAR1PPARGEPHX2
SCHEMBL2949302 0.84 TP53 (0.56) PPARGEPHX2TBXAS1ACE
SCHEMBL28056888 0.84 PPARD (0.48) PPARAPPARDPPARGEPHX2
SCHEMBL4665113 0.84 TP53 (0.56) PPARGEPHX2TBXAS1ACE
SCHEMBL4665111 0.84 TP53 (0.56) PPARGEPHX2TBXAS1ACE
SCHEMBL11251320 0.83 FFAR1 (0.58) PPARAFFAR1PPARGEPHX2GRB2
SCHEMBL27665599 0.83 PPARA (0.50) PPARAPPARDFFAR1PPARGEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8268865-B2 Quaternary alkyl ammonium bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20120165276-A1 QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2012-06-28 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-20120165276-A1 QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, SLC47A1 PPARA 1698/4885PPARD 2695/4885FFAR1 2518/4885

“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.