SCHEMBL3527422

SCHEMBL3527422

COC(=O)C(C)(C)OCC#Cc1cc(C(F)(F)F)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GCK P35557 1/20 0.32
GCKR Q14397 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.31
HDAC2 Q92769 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL3522529 0.83 ABL1 (0.39) KDM4EALDH1A1HPGDPTGDR2SMN1; SMN2
SCHEMBL3526109 0.77 CFTR (0.46) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3520238 0.77 KDM1A (0.37) SMN1; SMN2KMT2A
SCHEMBL3529290 0.75 CFTR (0.44) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3525168 0.74 KMT2A (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3521667 0.73 POLB (0.38) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3523884 0.72 MAPT (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3528134 0.72 MAPT (0.42) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3527628 0.71 KDM4E (0.44) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27833768 0.70 CFTR (0.36) CFTRKDM4EALDH1A1HPGDHSD17B10

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 CFTR 4058/4885KDM4E 1332/4885ALDH1A1 1607/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CFTR 2616/4885KDM4E 2824/4885ALDH1A1 1453/4885

“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.