SCHEMBL3529290

SCHEMBL3529290

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
RORC P51449 2/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
PPARD Q03181 1/20 0.35
GAA P10253 1/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GABRP O00591 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
SCHEMBL3526109 0.93 CFTR (0.46) CFTRRORCKDM4EMAPTALDH1A1
SCHEMBL27833768 0.85 CFTR (0.36) CFTRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2216712 0.85 KDM4E (0.42) CFTRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL3521633 0.83 CFTR (0.49) CFTRRORCKDM4EMAPTALDH1A1
SCHEMBL2215302 0.81 KDM4E (0.41) CFTRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL3528298 0.81 MAPT (0.47) ITGB1ITGA4KDM4EMAPTALDH1A1
SCHEMBL3527628 0.80 KDM4E (0.44) CFTRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12820360 0.78 ALDH1A1 (0.57) CFTRITGB1ITGA4KDM4EMAPT
SCHEMBL3527495 0.78 MAPT (0.46) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL3520159 0.76 GABRP (0.37) KDM4EMAPTALDH1A1HSD17B10HPGD

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 4058/4885ITGB1 4689/4885ITGA4 4811/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CFTR 2616/4885ITGB1 4284/4885ITGA4 4530/4885

“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.