SCHEMBL2180720

SCHEMBL2180720

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.61
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CTRB1 P17538 3/20 0.50
SLC15A1 P46059 1/20 0.50
LTA4H P09960 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
OPRD1 P41143 4/20 0.48
OPRM1 P35372 3/20 0.48
OPRK1 P41145 1/20 0.48
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48

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
SCHEMBL8046881 1.00 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL8046880 1.00 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL9352096 0.87 SLC7A5 (0.53) SLC7A5OPRD1OPRM1OPRK1
SCHEMBL2183958 0.87 SLC7A5 (0.53) SLC7A5OPRD1OPRM1OPRK1
SCHEMBL11130560 0.87 SLC7A5 (0.53) SLC7A5OPRD1OPRM1OPRK1
SCHEMBL9352087 0.87 SLC7A5 (0.53) SLC7A5OPRD1OPRM1OPRK1
SCHEMBL1645427 0.85 CTSC (0.58) CTSCALPIPKMPTGS1XIAP
SCHEMBL9350595 0.84 CTSC (0.57) CTSCALPIPKMPTGS1XIAP
SCHEMBL9350598 0.84 CTSC (0.57) CTSCALPIPKMPTGS1XIAP
SCHEMBL10800384 0.84 CTSC (0.63) CTSCALPIPKMPTGS1XIAP

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-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-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 (2 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-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST CTSC 383/4885ALPI 1064/4885PKM 542/4885
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP CTSC 331/4885ALPI 2807/4885PKM 3973/4885

“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.