SCHEMBL44026

SCHEMBL44026

NC(Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 9/20 0.65
PTGS1 P23219 2/20 0.65
ALPI P09923 1/20 0.65
PKM P14618 1/20 0.65
XIAP P98170 1/20 0.65
GRIA2 P42262 1/20 0.60
NOS3 P29474 3/20 0.59
NOS1 P29475 3/20 0.59
NOS2 P35228 3/20 0.59
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
EGFR P00533 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ALOX15 P16050 1/20 0.56
HTR2A P28223 1/20 0.56
PTGS2 P35354 1/20 0.56
RECQL P46063 1/20 0.56
HIF1A Q16665 1/20 0.56

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
SCHEMBL14935980 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL44027 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29567654 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29400795 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL20502133 0.98 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL22264913 0.98 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL29398308 0.98 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL20502134 0.98 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL31320951 0.98 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Leucine SCHEMBL7415976 0.90 NOS3 (0.53) SLC7A5PTGS1ALPIPKMXIAP

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 1169 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113481228-B Microbial unnatural amino acid introducing system and construction method 中国药科大学 2024-07-19 CN claimed
US-20230391887-A1 MULTIVALENT MEDITOPES, MEDITOPE-BINDING ANTIBODIES AND USES THEREOF HOPE CITY (US) 2023-12-07 US claimed
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-28 US claimed
EP-4218810-A2 MULTIVALENT MEDITOPES, MEDITOPE-BINDING ANTIBODIES AND USES THEREOF City of Hope (US) 2023-08-02 EP claimed
CN-116390742-A Cyclic chemokine-9 derivatives 拜耳公司 2023-07-04 CN claimed
CN-113481228-A Microorganism unnatural amino acid introduction system and construction method 中国药科大学 2021-10-08 CN claimed
US-10905107-B2 Transgenic mouse capable of spatial and temporal control of expression and site-specific modification of target protein, production method and uses thereof KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-02-02 US claimed
US-20180148514-A1 MULTIVALENT MEDITOPES, MEDITOPE-BINDING ANTIBODIES AND USES THEREOF CITY OF HOPE 2018-05-31 US claimed
US-20180086826-A1 MECHANICALLY INTERLOCKING COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US claimed
US-20180064076-A1 TRANSGENIC MOUSE CAPABLE OF SPATIAL AND TEMPORAL CONTROL OF EXPRESSION AND SITE-SPECIFIC MODIFICATION OF TARGET PROTEIN, PRODUCTION METHOD AND USES THEREOF PROMEDIGEN (KR) 2018-03-08 US claimed
WO-2007090198-A2 FLUORESCENT ASSAYS USING ORTHOGONAL TRNA - AMINOACYL SYNTHETASE PAIRS ENCODE BIO, INC. (US) 2007-08-09 WO claimed
US-20070178554-A1 Orthogonal Aminoacyl Synthetase-tRNA Pairs for Incorporating Unnatural Amino Acids Into Proteins NEURION PHARMACEUTICALS, INC. 2007-08-02 US claimed
WO-2006039717-A2 METHODS OF DETERMINING PRECISE HERG INTERACTIONS AND ALTERING COMPOUNDS BASED ON SAID INTERACTIONS NEURION PHARMACEUTICALS, INC. (US) 2006-04-13 WO claimed
WO-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 WO claimed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US claimed
US-20060014159-A1 Methods of determining precise HERG interactions and designing compounds based on said interactions NEURION PHARMACEUTICALS, INC. (US) 2006-01-19 US claimed
WO-2005122379-A2 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO claimed
US-6867284-B1 Peptide inhibitors of hepatitis C virus NS3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-03-15 US claimed
EP-1084137-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2001-03-21 EP claimed
WO-1999064442-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 1999-12-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20230391887-A1 MULTIVALENT MEDITOPES, MEDITOPE-BINDING ANTIBODIES AND USES THEREOF FCGR3B, FCGR2A, CD47 SLC7A5 3511/4885PTGS1 4790/4885ALPI 1470/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 SLC7A5 576/4885PTGS1 3492/4885ALPI 3006/4885
US-20180148514-A1 MULTIVALENT MEDITOPES, MEDITOPE-BINDING ANTIBODIES AND USES THEREOF FCGR3B, FCGR2A, CD47 SLC7A5 3511/4885PTGS1 4790/4885ALPI 1470/4885
US-20060014159-A1 Methods of determining precise HERG interactions and designing compounds based on said interactions KCNN4, KCNC1, HCN4 SLC7A5 810/4885PTGS1 3115/4885ALPI 4428/4885
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES CMKLR1, CMKLR2, CCL2 SLC7A5 3537/4885PTGS1 605/4885ALPI 2013/4885
US-20070178554-A1 Orthogonal Aminoacyl Synthetase-tRNA Pairs for Incorporating Unnatural Amino Acids Into Proteins AARS1, GARS1, TRMT1 SLC7A5 171/4885PTGS1 4347/4885ALPI 2899/4885
US-20180086826-A1 MECHANICALLY INTERLOCKING COMPLEXES FCGR3B, FCGR2A, FCGRT SLC7A5 2742/4885PTGS1 4601/4885ALPI 4028/4885

“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.