SCHEMBL3521633

SCHEMBL3521633

COC(=O)CCC#Cc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SHMT1 P34896 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38

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
SCHEMBL3526109 0.90 CFTR (0.46) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3529290 0.83 CFTR (0.44) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3524738 0.77 ALDH1A1 (0.53) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3520159 0.75 GABRP (0.37) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL3526355 0.75 L3MBTL1 (0.38) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL3527628 0.74 KDM4E (0.44) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30759076 0.73 GABRP (0.36) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL3524974 0.73 HDAC3 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13315666 0.73 ALDH1A1 (0.41) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3527600 0.73 MAPT (0.43) KDM4EGABRPGABRDGABRA1GABRB1

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.