Sugi Predict

Sugi Predict / Compounds / SCHEMBL3872245

SCHEMBL3872245

SCHEMBL3872245

CCOC(=O)Cn1ccc2ccc(OC(C)CCC#Cc3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.41
▸ ACACB O00763 2/20 0.38
▸ NR5A1 Q13285 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ MCL1 Q07820 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL3876123 0.90 TRPV1 (0.43) TRPV1ACACBPOLBMCL1MTNR1A
SCHEMBL3883848 0.86 MCL1 (0.47) TRPV1POLBMCL1LMNAPPARG
SCHEMBL3876141 0.82 TRPV1 (0.46) TRPV1ACACBNR5A1POLBMCL1
SCHEMBL3872201 0.82 LMNA (0.43) TRPV1NR5A1POLBLMNAKDM4E
SCHEMBL3874769 0.81 TRPV1 (0.41) TRPV1ACACBPOLBMCL1LMNA
SCHEMBL3873618 0.79 PPARG (0.44) POLBMCL1LMNAPPARGPPARD
SCHEMBL3873483 0.79 TRPV1 (0.42) TRPV1ACACBNR5A1POLBLMNA
SCHEMBL3874761 0.78 TRPV1 (0.40) TRPV1ACACBNR5A1POLBMCL1
SCHEMBL3873464 0.78 MCL1 (0.44) TRPV1MCL1PPARGPPARDPPARA
SCHEMBL3884705 0.78 MCL1 (0.47) MCL1PPARGPPARDPPARA

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 2430/4885ACACB 461/4885NR5A1 217/4885

“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.