SCHEMBL979748

SCHEMBL979748

CC(OC(=O)Cc1cccc(C(S)c2ccccc2C(=O)O)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.64
PPARA Q07869 8/20 0.64
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.38
FFAR1 O14842 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.36
PPARD Q03181 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TACR1 P25103 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LDHA P00338 1/20 0.34

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
SCHEMBL979915 0.85 PPARG (0.59) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL979304 0.83 PPARG (0.61) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL979749 0.78 PPARG (1.00) PPARGPPARAMEN1KMT2AMRGPRX4
SCHEMBL978746 0.76 PPARG (0.59) PPARGPPARAKMT2AALDH1A1CNR2
SCHEMBL977474 0.76 PPARG (0.59) PPARGPPARAKMT2AALDH1A1CNR2
SCHEMBL977815 0.76 PPARG (0.60) PPARGPPARAMEN1KMT2ATSHR
SCHEMBL979057 0.75 PPARG (0.63) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL980027 0.73 PPARG (0.57) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL13046507 0.70 TSHR (0.71) PPARGPPARAALDH1A1CNR2FFAR1
SCHEMBL3391481 0.70 TSHR (0.71) PPARGPPARAALDH1A1CNR2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181181-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2015-11-10 US claimed
US-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2011-01-27 US claimed
US-9181181-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2015-11-10 US disclosed
US-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2011-01-27 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-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE TPMT, FABP2, PTGES2 PPARG 35/4885PPARA 25/4885MEN1 4867/4885

“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.