SCHEMBL5496496

SCHEMBL5496496

CCOC(=O)CCNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP8 P22894 1/20 0.49
SLC15A1 P46059 1/20 0.48
POLB P06746 1/20 0.47
CA2 P00918 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
LTA4H P09960 1/20 0.46
TLR2 O60603 1/20 0.46
ANPEP P15144 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
PPID Q08752 1/20 0.46
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL5496491 1.00 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C19MMP8SLC15A1
SCHEMBL7387364 0.88 HRH4 (0.57) CYP3A4CYP2D6CYP2C19SLC15A1CA2
SCHEMBL7398925 0.88 SLC15A1 (0.51) SLC15A1CA2ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL5492506 0.87 HRH4 (0.56) CYP3A4CYP2D6CYP2C19SLC15A1CA2
Hydrochloric Acid SCHEMBL5492509 0.87 HRH4 (0.56) CYP3A4CYP2D6CYP2C19SLC15A1CA2
SCHEMBL5020123 0.86 PPID (0.58) CYP3A4CYP2D6CYP2C19MMP8SLC15A1
SCHEMBL7361284 0.86 LAP3 (0.64) CYP3A4CYP2D6CYP2C19MMP8POLB
SCHEMBL27546532 0.86 LAP3 (0.64) CYP3A4CYP2D6CYP2C19MMP8POLB
Bromide SCHEMBL10788649 0.85 PPID (0.57) CYP3A4CYP2D6CYP2C19MMP8SLC15A1
Bromide SCHEMBL11019745 0.85 PPID (0.57) CYP3A4CYP2D6CYP2C19MMP8SLC15A1

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 CYP3A4 2172/4885CYP2D6 1700/4885CYP2C19 3281/4885

“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.