SCHEMBL2182283

SCHEMBL2182283

CCCC[C@@H]([C]=O)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.60
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CTSH P09668 1/20 0.49
CYP2D6 P10635 1/20 0.49
CTSK P43235 1/20 0.49
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
CNR2 P34972 1/20 0.46
REN P00797 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
LTA4H P09960 1/20 0.45
MC4R P32245 1/20 0.44
MC3R P41968 1/20 0.44
MMP2 P08253 6/20 0.44
MMP1 P03956 2/20 0.44

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
SCHEMBL9798675 0.92 CTSC (0.63) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL9798680 0.92 CTSC (0.63) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL9132107 0.87 CTSC (0.60) CTSCALPIPKMPTGS1XIAP
SCHEMBL9132111 0.87 CTSC (0.60) CTSCALPIPKMPTGS1XIAP
SCHEMBL10633263 0.87 CTSC (0.60) CTSCALPIPKMPTGS1XIAP
SCHEMBL2196618 0.87 CTSC (0.60) CTSCALPIPKMPTGS1XIAP
SCHEMBL11133028 0.87 CTSC (0.60) CTSCALPIPKMPTGS1XIAP
SCHEMBL7292855 0.87 MMP2 (0.51) CNR2MMP2MMP1MMP3
SCHEMBL7292856 0.87 MMP2 (0.51) CNR2MMP2MMP1MMP3
SCHEMBL9225086 0.87 CTSC (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 US disclosed
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 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 (3 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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST CTSC 383/4885CYP1A2 2600/4885CYP3A4 1172/4885
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST CTSC 383/4885CYP1A2 2600/4885CYP3A4 1172/4885
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.