SCHEMBL16118740

SCHEMBL16118740

CCCCOc1cc(C[C@H](N)C(=O)OC)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ AGER Q15109 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ SIGMAR1 Q99720 6/20 0.41
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ REN P00797 3/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39

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
SCHEMBL11961305 0.90 ALDH1A1 (0.53) ALDH1A1SIGMAR1PTGESALOX5PPARG
SCHEMBL16124149 0.88 ALDH1A1 (0.57) ALDH1A1SIGMAR1REN
SCHEMBL30958039 0.84 ALDH1A1 (0.61) ALDH1A1
SCHEMBL5148707 0.84 ALDH1A1 (0.61) ALDH1A1
Hydrochloric Acid SCHEMBL5148704 0.83 ALDH1A1 (0.63) ALDH1A1
SCHEMBL16228399 0.81 LTA4H (0.51) ALDH1A1KEAP1NFE2L2
SCHEMBL16228397 0.81 LTA4H (0.51) ALDH1A1KEAP1NFE2L2
SCHEMBL10084808 0.81 ACACB (0.55) PPARG
SCHEMBL13126082 0.81 ACACB (0.55) PPARG
SCHEMBL12473156 0.81 ACACB (0.55) PPARG

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
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 — — EP disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 — — US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 — — US disclosed
WO-2014152134-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 — — WO 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-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP ALDH1A1 1694/4885AGER 688/4885TSHR 4110/4885

“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.

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