SCHEMBL1744966

SCHEMBL1744966

NC(Cc1ccc2c(c1)OCCO2)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.55
PTGS1 P23219 3/20 0.55
KDM4E B2RXH2 2/20 0.55
PTGS2 P35354 2/20 0.55
USP2 O75604 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
EGFR P00533 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
HTR2A P28223 1/20 0.55
RECQL P46063 1/20 0.55
HIF1A Q16665 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SLC6A4 P31645 2/20 0.53
PKM P14618 2/20 0.51
TAAR1 Q96RJ0 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL3788967 1.00 SLC7A5 (0.55) SLC7A5PTGS1KDM4EPTGS2USP2
SCHEMBL3607848 0.91 SLC6A4 (0.66) SLC7A5PTGS1KDM4EPTGS2USP2
SCHEMBL3607843 0.91 SLC6A4 (0.66) SLC7A5PTGS1KDM4EPTGS2USP2
Hydrochloric Acid SCHEMBL11158645 0.89 SLC6A4 (0.64) SLC7A5PTGS1KDM4EPTGS2USP2
Hydrochloric Acid SCHEMBL28265941 0.89 SLC6A4 (0.64) SLC7A5PTGS1KDM4EPTGS2USP2
SCHEMBL31369822 0.88 SLC7A5 (0.50) SLC7A5PTGS1KDM4EPTGS2USP2
Phenylalanine Methyl Ester SCHEMBL7250904 0.85 SLC7A5 (0.50) SLC7A5PTGS1KDM4EHSD17B10PKM
Trifluoroacetic Acid SCHEMBL28868211 0.83 SLC6A4 (0.56) SLC7A5PTGS1KDM4EPTGS2USP2
SCHEMBL3350932 0.83 KDM6B (0.54) PTGS1KDM4EPTGS2USP2ALOX15
SCHEMBL3359174 0.83 KDM6B (0.54) PTGS1KDM4EPTGS2USP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 US claimed
US-20230357307-A1 CLEAVABLE CYCLIC LOOP NUCLEOTIDES FOR NANOPORE SEQUENCING ILLUMINA, INC. 2023-11-09 US disclosed
US-20230357307-A1 CLEAVABLE CYCLIC LOOP NUCLEOTIDES FOR NANOPORE SEQUENCING ILLUMINA, INC. 2023-11-09 US disclosed
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010091164-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE EXELIXIS, INC. (US) 2010-08-12 WO disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 SLC7A5 2232/4885PTGS1 402/4885KDM4E 3719/4885
US-20230357307-A1 CLEAVABLE CYCLIC LOOP NUCLEOTIDES FOR NANOPORE SEQUENCING TENT4A, TENT4B, DNTT SLC7A5 1851/4885PTGS1 4767/4885KDM4E 3801/4885

“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.