SCHEMBL168029

SCHEMBL168029

N[C@@H](Cc1ccc(O)cc1)C(=O)OS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.57
TAAR1 Q96RJ0 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
SLC6A2 P23975 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
DPP4 P27487 1/20 0.41
ERAP2 Q6P179 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL6523945 1.00 SLC7A5 (0.57) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL3476198 0.98 SLC7A5 (0.56) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL168028 0.89 SLC7A5 (0.59) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL25234890 0.86 SLC7A5 (0.56) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL7155008 0.85 ALPI (0.58) SLC7A5HDAC8
SCHEMBL28872276 0.85 ALPI (0.58) SLC7A5HDAC8
SCHEMBL29969329 0.83 SLC7A5 (0.53) SLC7A5TAAR1HDAC8SLC6A2ESR1
Tyrosine Methyl Ester SCHEMBL28726421 0.83 ESR1 (0.56) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL27680265 0.81 SLC7A5 (0.67) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL4453960 0.81 SLC7A5 (0.67) SLC7A5TAAR1HDAC8SLC6A2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083469-A Complex comprising both heparin binding proteins and heparin-hydroxyalkyl starch conjugates OCTAPHARMA AG 2011-06-01 CN claimed
US-20240117030-A1 MULTISPECIFIC ANTIBODIES AND USES THEREOF PFIZER (US) 2024-04-11 US disclosed
CN-117653725-A anti-CCR 8 antibody therapy: biomarkers and combination therapies 拜耳公司 2024-03-08 CN disclosed
US-20230295222-A1 Conjugation Reagents and Methods Using 1,2-Cyclohexanediones Encodia, Inc. (US) 2023-09-21 US disclosed
WO-2023166418-A2 MULTISPECIFIC ANTIBODIES AND USES THEREOF PFIZER INC. (US) 2023-09-07 WO disclosed
WO-2023166420-A1 MULTISPECIFIC ANTIBODIES AND USES THEREOF PFIZER INC. (US) 2023-09-07 WO disclosed
US-20230279417-A1 ROOT-SECRETED PEPTIDE PEP1 IN RICE AND GENE ENCODING THE SAME AND USE THEREOF ZHEJIANG UNIVERSITY (CN) 2023-09-07 US disclosed
US-20230250178-A1 SULFATED PEPTIDES FOR CHEMOKINE RECEPTOR ANTIBODY GENERATION BAYER AKTIENGESELLSCHAFT (DE) 2023-08-10 US disclosed
CN-114524871-B Variant SH2 domains with high affinity for tyrosine-containing sulfated modified peptides 青岛赛诺基因科技有限公司 2023-06-09 CN disclosed
CN-116234825-A CCR8 antibodies for therapeutic applications 拜耳公司 2023-06-06 CN disclosed
WO-1997018315-A1 HYBRID FACTOR VIII WITH MODIFIED ACTIVITY IMMUNO AKTIENGESELLSCHAFT (AT) 1997-05-22 WO disclosed
EP-0531537-B1 HIRUDIN ANALOGUE OR SALT THEREOF, PRODUCTION THEREOF, AND ANTICOAGULANT CONTAINING THE SAME AS ACTIVE INGREDIENT JAPAN ENERGY CORP (JP) 1996-09-11 EP disclosed
US-5552299-A ANTICOAGULANT BIOGAL GYOGYSZERGYAR RT. (HU) 1996-09-03 US disclosed
US-5508437-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-04-16 US disclosed
CN-1113389-A High molecular weight desulphatohirudin CIBA GEIGY AG (CH) 1995-12-13 CN disclosed
US-5296608-A Intermediates for analogs of tyrosine sulfate or tyrosine phosphate containing peptides HOFFMAN-LA ROCHE INC. (US) 1994-03-22 US disclosed
EP-0576792-A2 Plasmids and process for producing recombinant desulphatohirudin HV-1 peptide BIOGAL GYOGYSZERGYAR RT. (HU) 1994-01-05 EP disclosed
EP-0531537-A1 HIRUDIN ANALOGUE OR SALT THEREOF, PRODUCTION THEREOF, AND ANTICOAGULANT CONTAINING THE SAME AS ACTIVE INGREDIENT JAPAN ENERGY CORPORATION (JP) 1993-03-17 EP disclosed
US-5182263-A Appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1993-01-26 US disclosed
EP-0161468-A3 PROCESS FOR THE SOLID PHASE SYNTHESIS OF PEPTIDES WHICH CONTAIN SULFATED TYROSINE PENNWALT CORPORATION (US) 1988-10-26 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-20230295222-A1 Conjugation Reagents and Methods Using 1,2-Cyclohexanediones TNNI3, CHD1, TNNT2 SLC7A5 501/4885TAAR1 1481/4885HDAC8 1679/4885

“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.