SCHEMBL17492077

SCHEMBL17492077

COC(=O)[C@@H](COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.46
▸ PPARA Q07869 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36

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
SCHEMBL17492075 1.00 SCN9A (0.46) SCN9APPARAPPARGKLK5PSEN1
SCHEMBL17492160 0.89 PPARA (0.50) SCN9APPARAPPARGPSEN1PSEN2
SCHEMBL17492162 0.89 PPARA (0.50) SCN9APPARAPPARGPSEN1PSEN2
SCHEMBL3469666 0.85 KLK5 (0.42) PPARAPPARGKLK5NFKB1NFKB2
SCHEMBL17492154 0.82 ALDH1A1 (0.42) PPARAPPARGKLK5NFKB1NFKB2
SCHEMBL17492157 0.82 ALDH1A1 (0.42) PPARAPPARGKLK5NFKB1NFKB2
SCHEMBL19105156 0.82 PPARA (0.47) SCN9APPARAPPARGCTSSITGB3
SCHEMBL18750485 0.82 SCN9A (0.66) SCN9ACTSS
SCHEMBL17492177 0.80 NFKB1 (0.52) PPARAPPARGKLK5NFKB1NFKB2
SCHEMBL17492179 0.80 NFKB1 (0.52) PPARAPPARGKLK5NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131916-B1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC (JP) 2018-11-14 — — EP disclosed
US-9873695-B2 Serine derivatives as ghrelin receptor agonists RAQUALIA PHARMA INC. (JP) 2018-01-23 — — US disclosed
US-20170197961-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2017-07-13 — — US disclosed
EP-3131916-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RaQualia Pharma Inc (JP) 2017-02-22 — — EP disclosed
WO-2016021191-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2016-02-11 — — 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-20170197961-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GHSR, GHRHR, GIPR SCN9A 1539/4885PPARA 911/4885PPARG 345/4885

“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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