SCHEMBL1649100

SCHEMBL1649100

N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C]=O)Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.62
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CTSH P09668 1/20 0.46
CYP2D6 P10635 1/20 0.46
CTSK P43235 1/20 0.46
ECE1 P42892 2/20 0.44
PKM P14618 2/20 0.44
ALPI P09923 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
AKT1 P31749 1/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
LMNA P02545 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
EPHX2 P34913 1/20 0.43
SLC15A1 P46059 1/20 0.43
FPR1 P21462 1/20 0.42

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
SCHEMBL583121 0.89 CTSC (0.76) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL1691349 0.89 CTSC (0.76) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL583122 0.89 CTSC (0.76) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL9144573 0.89 CTSC (0.76) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL9389290 0.89 CTSC (0.76) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL2813084 0.88 CTSC (0.74) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL4588611 0.88 CTSC (0.74) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL8893265 0.83 CTSC (0.67) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL9143188 0.83 CTSC (0.67) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL9293695 0.83 CTSC (0.67) CTSCCYP1A2CYP3A4CTSHCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 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-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP CTSC 331/4885CYP1A2 4643/4885CYP3A4 4045/4885

“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.