SCHEMBL5494766

SCHEMBL5494766

CCOC(=O)CCNC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.41
RNPEP Q9H4A4 2/20 0.41
DNPEP Q9ULA0 2/20 0.41
CAPN9 O14815 1/20 0.40
CTSL P07711 2/20 0.40
LMNA P02545 1/20 0.40
CAPN1 P07384 1/20 0.40
CTSB P07858 1/20 0.40
CTSG P08311 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC7A5 Q01650 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
TLR2 O60603 2/20 0.37

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
SCHEMBL5494763 1.00 ANPEP (0.41) ANPEPRNPEPDNPEPCAPN9CTSL
SCHEMBL8021280 0.84 GAA (0.45) ANPEPRNPEPDNPEPSLC7A5MGAM
SCHEMBL8021278 0.84 GAA (0.45) ANPEPRNPEPDNPEPSLC7A5MGAM
SCHEMBL7140073 0.83 CYP1A2 (0.44) CAPN9CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL9807062 0.83 GAA (0.44) ANPEPRNPEPDNPEPSLC7A5MGAM
Bromide SCHEMBL9807038 0.83 GAA (0.44) ANPEPRNPEPDNPEPSLC7A5MGAM
SCHEMBL7396618 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19MGAM
SCHEMBL10085314 0.80 GAA (0.46) CAPN9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7358388 0.79 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19MGAM
Hydrochloric Acid SCHEMBL7396617 0.79 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19MGAM

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
US-7189708-B2 Topical composition for skin KAO CORPORATION (JP) 2007-03-13 US disclosed
EP-1090625-B1 Topical composition for the skin and use thereof KAO CORP (JP) 2004-12-22 EP disclosed
US-20030087833-A1 Topical composition for skin KAO CORPORATION (JP) 2003-05-08 US disclosed
US-6489291-B1 Topical composition for skin KAO CORPORATION (JP) 2002-12-03 US disclosed
EP-1090625-A2 Topical composition for the skin and use thereof Kao Corporation (JP) 2001-04-11 EP 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-20030087833-A1 Topical composition for skin CUTA, SLC38A7, CCR8 ANPEP 270/4885RNPEP 458/4885DNPEP 143/4885

“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.