Sugi Predict

Sugi Predict / Compounds / SCHEMBL4818304

SCHEMBL4818304

SCHEMBL4818304

CC(C)(C)OC(=O)N[C@H](COc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.62
▸ PPARG P37231 4/20 0.59
▸ ACE P12821 1/20 0.54
▸ ITGB3 P05106 1/20 0.54
▸ ITGA2B P08514 1/20 0.54
▸ PPARD Q03181 2/20 0.53
▸ IDO1 P14902 1/20 0.51
▸ PTPN1 P18031 3/20 0.51
▸ CTSS P25774 3/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.49
▸ MTNR1A P48039 3/20 0.49
▸ MTNR1B P49286 3/20 0.49
▸ SCN9A Q15858 1/20 0.48

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
SCHEMBL17491900 1.00 PPARA (0.62) PPARAPPARGACEITGB3ITGA2B
SCHEMBL8162953 0.90 PPARA (0.67) PPARAPPARGACEITGB3ITGA2B
SCHEMBL17492179 0.89 NFKB1 (0.52) PPARAPPARGACEITGB3ITGA2B
SCHEMBL17492177 0.89 NFKB1 (0.52) PPARAPPARGACEITGB3ITGA2B
SCHEMBL3109195 0.88 PPARA (0.51) PPARAPPARGACEITGB3ITGA2B
SCHEMBL3763496 0.88 ITGB3 (0.54) PPARAPPARGACEITGB3ITGA2B
SCHEMBL17491991 0.88 ITGB3 (0.54) PPARAPPARGACEITGB3ITGA2B
SCHEMBL345468 0.88 ITGB3 (0.54) PPARAPPARGACEITGB3ITGA2B
SCHEMBL4816376 0.88 ITGB3 (0.54) PPARAPPARGACEITGB3ITGA2B
SCHEMBL17492215 0.88 PPARA (0.57) PPARAPPARGACEITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459147-B Serine derivatives as ghrelin receptor agonists 拉夸里亚创药株式会社 2021-08-06 — — CN disclosed
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-9873695-B2 Serine derivatives as ghrelin receptor agonists RAQUALIA PHARMA INC. (JP) 2018-01-23 — — US 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
US-20170197961-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2017-07-13 — — 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
CN-106459147-A SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS 拉夸里亚创药株式会社 2017-02-22 — — CN disclosed
WO-2016021191-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2016-02-11 — — WO disclosed
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 — — US disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 — — US disclosed
US-7132533-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2006-11-07 — — US disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 — — US disclosed
US-6967198-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS INC. (US) 2005-11-22 — — US disclosed
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 — — 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 (4 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA PPARA 3216/4885PPARG 2046/4885ACE 4135/4885
US-20170197961-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GHSR, GHRHR, GIPR PPARA 911/4885PPARG 345/4885ACE 2198/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA PPARA 3252/4885PPARG 1931/4885ACE 4041/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA PPARA 3209/4885PPARG 1905/4885ACE 4003/4885

“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.