SCHEMBL5283089

SCHEMBL5283089

NC(Cc1ccc(O)cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.56
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CYP1A2 P05177 1/20 0.49
HSD17B10 Q99714 4/20 0.46
PTGS1 P23219 2/20 0.46
PKM P14618 2/20 0.46
ALPI P09923 1/20 0.46
XIAP P98170 1/20 0.46
GRIA2 P42262 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 3/20 0.44
USP2 O75604 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
HTR2A P28223 2/20 0.44
RECQL P46063 2/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL7205029 1.00 SLC7A5 (0.56) SLC7A5ESR1ESR2CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL20422673 0.98 SLC7A5 (0.54) SLC7A5ESR1ESR2CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL20422675 0.98 SLC7A5 (0.54) SLC7A5ESR1ESR2CYP1A2HSD17B10
SCHEMBL15360000 0.83 CYP1A2 (0.49) SLC7A5CYP1A2HSD17B10PTGS1PKM
SCHEMBL13957329 0.81 CYP1A2 (0.47) SLC7A5CYP1A2HSD17B10PTGS1PKM
SCHEMBL12128833 0.81 CYP1A2 (0.47) SLC7A5CYP1A2HSD17B10PTGS1PKM
SCHEMBL4208145 0.81 CYP1A2 (0.47) SLC7A5CYP1A2HSD17B10PTGS1PKM
SCHEMBL8168327 0.81 ESR1 (0.49) SLC7A5ESR1ESR2ALDH1A1KIF11
Hydrochloric Acid SCHEMBL25217806 0.80 CYP1A2 (0.46) SLC7A5CYP1A2HSD17B10PTGS1PKM
SCHEMBL31369948 0.80 NNMT (0.47) SLC7A5CYP1A2HSD17B10PTGS1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
WO-2020194563-A1 AGENT FOR PREVENTING OR IMPROVING SYMPTOMS OR DISEASE CAUSED BY PHENOLS 国立大学法人東北大学 2020-10-01 WO disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed
EP-3027754-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING enEvolv, Inc. (US) 2016-06-08 EP disclosed
WO-2015017866-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. (US) 2015-02-05 WO disclosed
US-5760237-A Synthesis of l-azatyrosine using pseudoephedrine as a chiral auxiliary CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-02 US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
EP-0737691-A1 Bombesin analogs BIOMEASURE, INC. (US) 1996-10-16 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO disclosed
EP-0606464-A4 PEPTIDES CAPABLE OF CONTROLLING ACROSOME REACTION. OREGON MEDICAL RES FOUND (US) 1995-10-25 EP disclosed
US-5439884-A Applying a polypeptide in vitro to stimulate the artificial insemination OREGON REGIONAL PRIMATE RESEARCH CENTER (US) 1995-08-08 US disclosed
EP-0606464-A1 PEPTIDES CAPABLE OF CONTROLLING ACROSOME REACTION MEDICAL RESEARCH FOUNDATION OF OREGON (US) 1994-07-20 EP disclosed
WO-1994002018-A1 PEPTIDES CAPABLE OF CONTROLLING ACROSOME REACTION THE MEDICAL RESEARCH FOUNDATION OF OREGON (US) 1994-02-03 WO disclosed
EP-0313094-A2 Anticancer agent and reagent for obtaining revertants MEIJI SEIKA KAISHA LTD. (JP) 1989-04-26 EP 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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP SLC7A5 54/4885ESR1 4145/4885ESR2 3945/4885

“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.