SCHEMBL9862545

SCHEMBL9862545

NC(Cc1ccc(F)c(Cl)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.57
PTGS1 P23219 3/20 0.57
ALOX15 P16050 3/20 0.57
HIF1A Q16665 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
USP2 O75604 1/20 0.57
EGFR P00533 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
HTR2A P28223 1/20 0.57
PTGS2 P35354 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PKM P14618 2/20 0.51
ALPI P09923 1/20 0.51
XIAP P98170 1/20 0.51
GRB2 P62993 1/20 0.49
PTPN1 P18031 1/20 0.48

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
SCHEMBL9862549 1.00 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL30510315 1.00 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
Hydrochloric Acid SCHEMBL27477387 0.98 SLC7A5 (0.55) SLC7A5PTGS1ALOX15HIF1AKDM4E
Hydrochloric Acid SCHEMBL27478678 0.98 SLC7A5 (0.55) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL21994431 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL21994433 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL20132819 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL4437987 0.85 PPARG (0.49) KDM4ELMNA
SCHEMBL1613644 0.85 SLC7A5 (0.62) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL43915 0.85 SLC7A5 (0.62) SLC7A5PTGS1ALOX15HIF1AKDM4E

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 22 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
CN-113481228-A Microorganism unnatural amino acid introduction system and construction method 中国药科大学 2021-10-08 CN claimed
CN-113481228-B Microbial unnatural amino acid introducing system and construction method 中国药科大学 2024-07-19 CN disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
CN-113481228-A Microorganism unnatural amino acid introduction system and construction method 中国药科大学 2021-10-08 CN disclosed
CN-106999536-B Macrocyclic inhibitors of PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions 百时美施贵宝公司 2020-11-27 CN disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
CN-1160368-C Endothelin antegon 中国人民解放军军事医学科学院毒物药 2004-08-04 CN disclosed
CN-1155612-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1155611-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1330076-A Endothelin antagon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
CN-1330077-A Endothelin antegon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
US-5059239-A Preemergence; postemergence; grains CIBA-GEIGY CORPORATION (US) 1991-10-22 US 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 (5 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP SLC7A5 50/4885PTGS1 4600/4885ALOX15 4357/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS SLC7A5 2107/4885PTGS1 3209/4885ALOX15 4409/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS SLC7A5 1197/4885PTGS1 3655/4885ALOX15 4093/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS SLC7A5 39/4885PTGS1 4602/4885ALOX15 4410/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP SLC7A5 54/4885PTGS1 4577/4885ALOX15 4322/4885

“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.