SCHEMBL3527628

SCHEMBL3527628

Nc1ccc(C(F)(F)F)cc1C#CCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.42
FFAR1 O14842 3/20 0.40
CFTR P13569 1/20 0.38
KMO O15229 1/20 0.37
PTPN1 P18031 2/20 0.37
PTPN6 P29350 2/20 0.37
PTPN11 Q06124 2/20 0.37
CHEK1 O14757 1/20 0.36
FYN P06241 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
GRK5 P34947 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL2216712 0.92 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10PTGDR2
SCHEMBL2215302 0.91 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10PTGDR2
SCHEMBL3526109 0.84 CFTR (0.46) KDM4EALDH1A1HPGDHSD17B10PTGDR2
SCHEMBL3529290 0.80 CFTR (0.44) KDM4EALDH1A1HPGDHSD17B10PTGDR2
SCHEMBL27833768 0.77 CFTR (0.36) KDM4EALDH1A1HPGDHSD17B10PTGDR2
SCHEMBL3877967 0.76 FFAR1 (0.49) PTGDR2FFAR1
SCHEMBL3521633 0.74 CFTR (0.49) KDM4EALDH1A1HPGDHSD17B10CFTR
SCHEMBL3529818 0.72 P2RX7 (0.35) KDM4EALDH1A1HPGDFFAR1
SCHEMBL3527422 0.71 CFTR (0.43) KDM4EALDH1A1HPGDHSD17B10PTGDR2
SCHEMBL25027223 0.71 TSHR (0.42) KDM4EALDH1A1HPGDHSD17B10CFTR

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-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 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 (2 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP KDM4E 1332/4885ALDH1A1 1607/4885HPGD 497/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG KDM4E 2824/4885ALDH1A1 1453/4885HPGD 449/4885

“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.