SCHEMBL2510091

SCHEMBL2510091

N[C@@H](Cc1ccc(OCc2ccccc2)c(Cl)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.54
PTGS1 P23219 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
XIAP P98170 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
XBP1 P17861 1/20 0.52
HTT P42858 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
ACP1 P24666 1/20 0.49

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
SCHEMBL8964099 0.83 MMP1 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL8964094 0.83 MMP1 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL23085885 0.83 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12831819 0.83 PPARG (0.52) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL16228357 0.82 SLC7A5 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL598291 0.81 LDHA (0.55) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29339 0.81 LDHA (0.55) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5973191 0.81 LDHA (0.55) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL9068176 0.81 SLC7A5 (0.53) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL16163778 0.81 PPARG (0.49) SLC7A5PTGS1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9386938-B2 Methods for collagen imaging Collagen Medical, LLC (US) 2016-07-12 US disclosed
US-20120114557-A1 Methods for Collagen Imaging Collagen Medical, LLC (US) 2012-05-10 US disclosed
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 US disclosed
US-20090270499-A1 Process for Synthesizing Atazanavir OXYRANE (UK) LIMITED (UK) 2009-10-29 US disclosed
WO-2009130534-A1 PROCESS FOR SYNTHESIZING ATAZANAVIR OXYRANE (PTY) LTD. (ZA) 2009-10-29 WO disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20080044360-A1 METHODS OF COLLAGEN IMAGING EPIX PHARMACEUTICALS, INC. 2008-02-21 US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 US disclosed
WO-2007084264-A2 METHODS FOR MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. (US) 2007-07-26 WO 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 (5 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-20120114557-A1 Methods for Collagen Imaging COL14A1, COL2A1, COL1A1 SLC7A5 3848/4885PTGS1 2844/4885ALPI 878/4885
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING FABP3, TNNI3, TNNT2 SLC7A5 3187/4885PTGS1 1704/4885ALPI 565/4885
US-20080044360-A1 METHODS OF COLLAGEN IMAGING COL14A1, COL2A1, COL1A1 SLC7A5 3981/4885PTGS1 2917/4885ALPI 811/4885
US-20070293656-A1 COLLAGEN BINDING PEPTIDES COL14A1, COL2A1, COL1A1 SLC7A5 3415/4885PTGS1 3457/4885ALPI 1968/4885
US-20090270499-A1 Process for Synthesizing Atazanavir SAMHD1, TYMS, COASY SLC7A5 1182/4885PTGS1 2522/4885ALPI 2053/4885

“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.