SCHEMBL5833115

SCHEMBL5833115

N[C@@H](CC1=CC(=C=O)C(O)C=C1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.40
PTGS1 P23219 2/20 0.40
PKM P14618 2/20 0.40
ALPI P09923 1/20 0.40
XIAP P98170 1/20 0.40
GRB2 P62993 1/20 0.36
HSD17B10 Q99714 3/20 0.36
USP2 O75604 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.36
RECQL P46063 2/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
GRIA2 P42262 1/20 0.35

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
SCHEMBL19337431 0.68 SLC7A5 (0.40) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL22605458 0.68 SLC7A5 (0.40) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL30861176 0.67 HSD17B10 (0.39) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL5300667 0.66 SLC7A5 (0.44) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL14441259 0.66 SLC7A5 (0.44) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL1640222 0.66 SLC7A5 (0.44) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL22914446 0.65 SLC7A5 (0.40) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL30466506 0.65 USP2 (0.34) SLC7A5PTGS1PKMALPIXIAP
Phenylalanine SCHEMBL5402089 0.63 SLC7A5 (0.81) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL14023473 0.63 SLC7A5 (0.41) SLC7A5PTGS1PKMALPIXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483261-A1 HIRUDIN PEPTIDE DERIVATIVES BIOGEN, INC. (US) 1992-05-06 EP claimed
WO-1991001328-A1 HIRUDIN PEPTIDE DERIVATIVES BIOGEN, INC. (US) 1991-02-07 WO claimed
US-7071299-B2 Peptide and polypeptide inhibitors of complement C1s ZYMOGENETICS, INC. (US) 2006-07-04 US disclosed
US-20050267035-A1 Peptide and polypeptide inhibitors of complement C1s ZYMOGENETICS, INC. 2005-12-01 US disclosed
EP-1349874-A2 PEPTIDE AND POLYPEPTIDE INHIBITORS OF COMPLEMENT C1S ZymoGenetics, Inc. (US) 2003-10-08 EP disclosed
US-20020102256-A1 Peptide and polypeptide inhibitors of complement C1s ZYMOGENETICS, INC. 2002-08-01 US disclosed
WO-2001098365-A2 PEPTIDE AND POLYPEPTIDE INHIBITORS OF COMPLEMENT C1S ZYMOGENETICS, INC. (US) 2001-12-27 WO disclosed
US-5691311-A Methods for coating invasive devices with inhibitors of thrombin BIOGEN, INC. (US) 1997-11-25 US disclosed
EP-0489070-B1 NOVEL INHIBITORS OF THROMBIN BIOGEN INC (US) 1996-04-24 EP disclosed
US-5433940-A Synthetic molecules mimic action of hirudin by binding to both the low affinity anion-binding exosite and the catalytic site of thrombin BIOGEN, INC. (US) 1995-07-18 US disclosed
US-5196404-A Hirudin mimic, polypeptide, hirulog; bivalirudin FDA Orange book listed patent BIOGEN, INC. (US) 1993-03-23 US disclosed
EP-0489070-A1 NOVEL INHIBITORS OF THROMBIN. BIOGEN INC (US) 1992-06-10 EP disclosed
EP-0483261-A1 HIRUDIN PEPTIDE DERIVATIVES BIOGEN, INC. (US) 1992-05-06 EP disclosed
EP-0482069-A1 COMBINATIONS AND METHODS FOR TREATING OR PREVENTING THROMBOTIC DISEASES BIOGEN, INC. (US) 1992-04-29 EP disclosed
WO-1991002750-A1 NOVEL INHIBITORS OF THROMBIN BIOGEN, INC. (US) 1991-03-07 WO disclosed
WO-1991001328-A1 HIRUDIN PEPTIDE DERIVATIVES BIOGEN, INC. (US) 1991-02-07 WO disclosed
WO-1991001142-A1 COMBINATIONS AND METHODS FOR TREATING OR PREVENTING THROMBOTIC DISEASES BIOGEN, INC. (US) 1991-02-07 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 (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-20050267035-A1 Peptide and polypeptide inhibitors of complement C1s C1S, C1QBP, C1R SLC7A5 3648/4885PTGS1 2655/4885PKM 4050/4885
US-20020102256-A1 Peptide and polypeptide inhibitors of complement C1s C1S, C1QBP, C1R SLC7A5 3648/4885PTGS1 2655/4885PKM 4050/4885

“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.