SCHEMBL498386

SCHEMBL498386

N[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.50
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DPP4 P27487 3/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
TYR P14679 1/20 0.42
FAP Q12884 1/20 0.41
ELANE P08246 1/20 0.41
TSHR P16473 1/20 0.40
SLC15A1 P46059 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2478803 1.00 CTSC (0.50) CTSCALPIPKMPTGS1XIAP
SCHEMBL3726266 1.00 CTSC (0.50) CTSCALPIPKMPTGS1XIAP
SCHEMBL10757105 0.92 HTR2C (0.45) CTSCALPIPKMPTGS1XIAP
Tyrosine SCHEMBL9686139 0.91 SLC7A5 (0.50) CTSCALPIPKMPTGS1XIAP
SCHEMBL10940484 0.91 CTSC (0.45) CTSCALPIPKMPTGS1XIAP
SCHEMBL4205064 0.89 SLC7A5 (0.44) CTSCSLC7A5HTR2CHTR2BDPP4
SCHEMBL11558863 0.86 CTSC (0.51) CTSCHTR2CHTR2BDPP4DPP8
SCHEMBL11560702 0.85 CTSC (0.48) CTSCHTR2CHTR2BDPP4DPP8
Phenylalanine SCHEMBL5672080 0.84 SLC7A5 (0.51) CTSCALPIPKMPTGS1XIAP
SCHEMBL17728303 0.84 SLC7A5 (0.46) CTSCSLC7A5HTR2CHTR2BDPP4

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734541-B1 NOVEL IL-17R-ECD MUTANTS THE NAT INST FOR BIOTECHNOLOGY IN THE NEGEV LTD (IL) 2017-09-06 EP claimed
CN-102837341-B Mildew-proof and mothproof treatment method for bamboo materials UNIV CENTRAL SOUTH FORESTRY 2014-08-13 CN claimed
EP-1768490-A2 SYSTEMS AND METHODS FOR EX-VIVO ORGAN CARE Transmedics, Inc. (US) 2007-04-04 EP claimed
EP-1575642-A4 MULTI-BALLOON CATHETER WITH HYDROGEL COATING BOSTON SCIENT LTD (BB) 2007-03-07 EP claimed
WO-2006042138-A2 SYSTEMS AND METHODS FOR EX-VIVO ORGAN CARE TRANSMEDICS, INC. (US) 2006-04-20 WO claimed
EP-1575642-A2 MULTI-BALLOON CATHETER WITH HYDROGEL COATING Boston Scientific Limited (BB) 2005-09-21 EP claimed
WO-2004028587-A2 MULTI-BALLOON CATHETER WITH HYDROGEL COATING BOSTON SCIENTIFIC LIMITED (BB) 2004-04-08 WO claimed
EP-0139592-B1 PROCESS AND APPARATUS FOR THE PRODUCTION OF AMINOACIDS BY FERMENTATION LES PRODUITS ORGANIQUES DU SANTERRE ORSAN (FR) 1992-03-25 EP claimed
CN-118340216-A Medicinal and edible plant composition with uric acid reducing function and preparation method and application thereof 湖南楚茗茶业有限公司 2024-07-16 CN disclosed
CN-118043316-A Factor XIIa inhibitors 卢纳克治疗有限公司 2024-05-14 CN disclosed
EP-4347578-A1 FACTOR XIIA INHIBITORS Lunac Therpeutics Ltd (GB) 2024-04-10 EP disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 EP disclosed
CN-112165938-A Factor XIIA inhibitors 利兹大学 2021-01-01 CN disclosed
WO-1998029547-A1 MODULATORS OF RADIAL GLIA-ASTROCYTE DIFFERENTIATION AND TRANSFORMATION, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF THE ROCKEFELLER UNIVERSITY (US) 1998-07-09 WO disclosed
EP-0512066-A4 CO-INDEPENDENT GROWTH MEDIUM FOR MAINTENANCE AND PROPAGATION OF CELLS US HEALTH (US) 1993-04-28 EP disclosed
US-5185248-A Farnesylation of peptide substrate; detecting amount of labeled farnesyl residue in substrate E. R. SQUIBB & SONS, INC. (US) 1993-02-09 US disclosed
EP-0512066-A1 CO-INDEPENDENT GROWTH MEDIUM FOR MAINTENANCE AND PROPAGATION OF CELLS. US HEALTH (US) 1992-11-11 EP disclosed
WO-1991010726-A1 CO-INDEPENDENT GROWTH MEDIUM FOR MAINTENANCE AND PROPAGATION OF CELLS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-07-25 WO disclosed
WO-1990007713-A1 MOLECULAR RECOGNITION UNITS CYTOGEN CORPORATION (US) 1990-07-12 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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 CTSC 725/4885ALPI 532/4885PKM 1817/4885

“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.