SCHEMBL5376562

SCHEMBL5376562

COC(=O)[C@H](Cc1ccc(OCCN(C)C(=O)C2CCCCC2)cc1)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
APP P05067 1/20 0.42
LMNA P02545 1/20 0.40
CPT1A P50416 1/20 0.39
PTPN1 P18031 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
KCNQ1 P51787 1/20 0.38
MAPT P10636 1/20 0.38
ALOX5 P09917 1/20 0.38
CPB1 P15086 1/20 0.38

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
SCHEMBL3839905 0.94 PPARG (0.51) PPARGAPPLMNAADORA3MAPT
SCHEMBL3840190 0.89 PPARG (0.46) PPARGLMNAADORA3KCNQ1MAPT
SCHEMBL3840202 0.87 PPARG (0.44) PPARGCPT1AKCNQ1
SCHEMBL5376568 0.83 ALOX5 (0.41) PPARGAPPLMNACPT1AADORA3
SCHEMBL5376571 0.81 APP (0.40) PPARGAPPLMNACPT1ANPC1
SCHEMBL13588500 0.81 PPARG (0.43) PPARGNPC1RAB9AATP4AATP4B
SCHEMBL3260605 0.80 PPARG (0.54) PPARG
SCHEMBL1596544 0.80 PPARG (0.54) PPARG
SCHEMBL5383278 0.76 ELANE (0.53) APPADORA3NPC1RAB9AMAPT
SCHEMBL5379053 0.76 LMNA (0.39) LMNANPC1RAB9AATP4AATP4B

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
US-20060160868-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 US claimed
US-7309791-B2 3-phenylpropionic acid derivatives ADAMED SP. Z.O.O (PL) 2007-12-18 US disclosed
US-20060160868-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 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-20060160868-A1 3-Phenylpropionic acid derivatives PPARA, PPARG, PPARD PPARG 2/4885APP 2415/4885LMNA 3590/4885

“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.