Sugi Predict

Sugi Predict / Compounds / SCHEMBL3873483

SCHEMBL3873483

SCHEMBL3873483

CCOC(=O)Cn1ccc2ccc(CC(=O)NCC#Cc3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ ACACB O00763 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CACNA1H O95180 2/20 0.38
▸ EPHX2 P34913 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ NR5A1 Q13285 1/20 0.35

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
SCHEMBL3874691 0.90 HDAC8 (0.39) HDAC8POLBEPHX2MTNR1AMTNR1B
SCHEMBL3874229 0.90 TRPV1 (0.44) TRPV1HDAC8ACACBCACNA1HEPHX2
SCHEMBL3874761 0.86 TRPV1 (0.40) TRPV1HDAC8ACACBPOLBCACNA1H
SCHEMBL3872201 0.81 LMNA (0.43) TRPV1POLBLMNAKDM4EALDH1A1
SCHEMBL3883848 0.80 MCL1 (0.47) TRPV1POLBLMNAPPARGPPARA
SCHEMBL3876141 0.80 TRPV1 (0.46) TRPV1ACACBPOLBEPHX2LMNA
SCHEMBL3874769 0.79 TRPV1 (0.41) TRPV1ACACBPOLBLMNAMTNR1A
SCHEMBL3872245 0.79 TRPV1 (0.41) TRPV1ACACBPOLBLMNAMTNR1A
SCHEMBL1379786 0.78 PPARD (0.45) HDAC8EPHX2PPARGPPARAHTT
SCHEMBL3871621 0.76 TRPV1 (0.41) TRPV1HDAC8ACACBCACNA1HPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781608-B1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-10-21 — — EP disclosed
US-7405236-B2 Indole derivatives comprising an acetylene group HOFFMAN-LA ROCHE INC. (US) 2008-07-29 — — US disclosed
US-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis HOFFMANN-LA ROCHE INC. 2006-02-16 — — 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 (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-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis PPARD, PPARG, PPARA TRPV1 2430/4885HDAC8 1755/4885ACACB 461/4885

“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.