SCHEMBL5888032

SCHEMBL5888032

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
BCL2 P10415 1/20 0.56
PTPN1 P18031 2/20 0.55
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
REN P00797 1/20 0.51
MAOB P27338 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
SYK P43405 1/20 0.49
PPARA Q07869 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
YAP1 P46937 1/20 0.48
APP P05067 1/20 0.48
PPARG P37231 1/20 0.48
LTA4H P09960 1/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL2617274 1.00 ATM (0.58) ATMBCL2PTPN1ITGB3ITGA2B
SCHEMBL2617272 0.91 REN (0.58) ATMBCL2PTPN1ITGB3ITGA2B
SCHEMBL6499797 0.91 REN (0.58) ATMBCL2PTPN1ITGB3ITGA2B
SCHEMBL272406 0.90 ATM (0.59) ATMBCL2PTPN1ITGB3ITGA2B
SCHEMBL5410539 0.90 ATM (0.59) ATMBCL2PTPN1ITGB3ITGA2B
SCHEMBL272806 0.90 ATM (0.59) ATMBCL2PTPN1ITGB3ITGA2B
SCHEMBL489489 0.89 ATM (0.70) ATMSYKAPPCTSSCTSL
SCHEMBL489490 0.89 ATM (0.70) ATMSYKAPPCTSSCTSL
SCHEMBL1519945 0.89 ATM (0.70) ATMSYKAPPCTSSCTSL
SCHEMBL31758125 0.89 ATM (0.53) ATMBCL2PTPN1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 CN disclosed
US-7026335-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE CO. (US) 2006-04-11 US disclosed
US-20050171158-A1 Melanocortin receptor ligands EBETINO FRANK H (US) 2005-08-04 US disclosed
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP disclosed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 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 (2 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-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R ATM 4885/4885BCL2 3354/4885PTPN1 1050/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R ATM 4885/4885BCL2 3318/4885PTPN1 901/4885

“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.