SCHEMBL7799718

SCHEMBL7799718

CCc1ccc(F)c(C(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.39
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEP1B Q16820 2/20 0.35
MEP1A Q16819 1/20 0.35
PLK1 P53350 1/20 0.35
FABP4 P15090 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
KAT6A Q92794 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
SCHEMBL2012196 0.84 BDKRB1 (0.45) KMT2A
SCHEMBL1671719 0.84 CES2 (0.40) METAP2CES2CES1MEP1BMEP1A
SCHEMBL20184233 0.84 METAP2 (0.38) METAP2ALDH1A1CES2CES1MEP1B
SCHEMBL24908622 0.84 RIPK1 (0.41) METAP2RIPK1ALDH1A1CES2CES1
SCHEMBL8218259 0.82 METAP2 (0.41) METAP2ALDH1A1HCAR2SMN1; SMN2MEN1
SCHEMBL18006678 0.82 ALDH1A1 (0.42) RIPK1ALDH1A1MEP1BMEP1AMEN1
SCHEMBL23647756 0.81 GABRA1 (0.42) METAP2RIPK1ALDH1A1CES2CES1
SCHEMBL2834374 0.79 DPP4 (0.31) RIPK1MEP1BMEP1AFABP4
SCHEMBL2835128 0.79 FFAR1 (0.35) METAP2RIPK1MEP1BMEP1AFABP4
SCHEMBL31258574 0.78 CES2 (0.47) ALDH1A1CES2CES1FABP4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-08-16 US disclosed
US-6265428-B1 VASODILATION TEXAS BIOTECHNOLOGY CORPORATION 2001-07-24 US disclosed
US-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 US disclosed
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP disclosed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 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 (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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, NPR1 METAP2 1116/4885RIPK1 4184/4885ALDH1A1 4421/4885

“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.