SCHEMBL4849153

SCHEMBL4849153

N[C@@H](Cc1ccccc1)C(=O)CNC(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.53
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
LTA4H P09960 1/20 0.50
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
CPA1 P15085 1/20 0.43
MMP2 P08253 2/20 0.43
CTSC P53634 1/20 0.43
PTPN1 P18031 1/20 0.43
GRB2 P62993 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 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
SCHEMBL32671739 0.79 ALPI (0.63) SLC15A1ALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL4849158 0.78 SLC15A1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL8200680 0.78 ALPI (0.61) SLC15A1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL8195630 0.78 ALPI (0.61) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL19465132 0.76 SLC15A1 (0.60) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7694204 0.76 SLC15A1 (0.60) SLC15A1ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL3050654 0.76 SLC7A5 (0.81) SLC15A1ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL16649156 0.76 SLC7A5 (0.81) SLC15A1ALPIPKMPTGS1XIAP
D-Phenylalanine SCHEMBL3054019 0.76 SLC7A5 (0.81) SLC15A1ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL3047281 0.76 SLC7A5 (0.81) SLC15A1ALPIPKMPTGS1XIAP

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-7468359-B2 Compositions comprising oxophosphonate-based metalloproteinase inhibitors YISSUM RESEARCH DEVELPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (US) 2008-12-23 US disclosed
US-20060199787-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-09-07 US disclosed
US-7101864-B1 Compositions comprising oxophosphonate-based metalloproteinase inhibitors YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-09-05 US disclosed
EP-1223945-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-07-24 EP disclosed
WO-2001026661-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-04-19 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 (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-20060199787-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS ENPP1, MMP1, MMP9 SLC15A1 1327/4885ALPI 65/4885PKM 2635/4885

“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.