SCHEMBL4065463

SCHEMBL4065463

CC(C)[C@@H](SC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
BCAT2 O15382 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4065115 1.00 CES2 (0.42) CES2CES1BCAT2GPR139MAPT
SCHEMBL4065108 1.00 CES2 (0.42) CES2CES1BCAT2GPR139MAPT
SCHEMBL13990223 0.81 POLB (0.51) CES2CES1GPR139SMN1; SMN2LMNA
SCHEMBL4871578 0.81 POLB (0.51) CES2CES1GPR139SMN1; SMN2LMNA
SCHEMBL27607672 0.81 POLB (0.51) CES2CES1GPR139SMN1; SMN2LMNA
SCHEMBL6575624 0.80 SMN1; SMN2 (0.44) CES2CES1GPR139MAPTSMN1; SMN2
SCHEMBL6578239 0.80 SMN1; SMN2 (0.44) CES2CES1GPR139MAPTSMN1; SMN2
SCHEMBL7546809 0.80 SMN1; SMN2 (0.44) CES2CES1GPR139MAPTSMN1; SMN2
SCHEMBL18113302 0.80 KMT2A (0.50) MAPTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL16044915 0.79 MAPT (0.45) CES2CES1GPR139MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410262-B2 Peptide conjugates of cytotoxins as therapeutics Cybrexa 2, Inc. (US) 2025-09-09 US disclosed
US-20240010755-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS Cybrexa 2, Inc. 2024-01-11 US disclosed
US-11634508-B2 Peptide conjugates of cytotoxins as therapeutics Cybrexa 2, Inc. (US) 2023-04-25 US disclosed
US-11634508-B2 Peptide conjugates of cytotoxins as therapeutics Cybrexa 2, Inc. (US) 2023-04-25 US disclosed
EP-3997093-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS Cybrexa 2, Inc. (US) 2022-05-18 EP disclosed
CN-114341162-A Peptide conjugates of cytotoxins as therapeutic agents 赛博克萨2公司 2022-04-12 CN disclosed
US-20210009719-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS Cybrexa 2, Inc. 2021-01-14 US disclosed
WO-2021007435-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS Cybrexa 2, Inc. (US) 2021-01-14 WO disclosed
WO-2021007435-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS Cybrexa 2, Inc. (US) 2021-01-14 WO disclosed
US-20210009719-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS Cybrexa 2, Inc. 2021-01-14 US disclosed
US-8759378-B2 Methods for treating blood disorders PHOENICIA BIOSCIENCES, INC. (US) 2014-06-24 US disclosed
US-8759378-B2 Methods for treating blood disorders PHOENICIA BIOSCIENCES, INC. (US) 2014-06-24 US disclosed
US-8759378-B2 Methods for treating blood disorders PHOENICIA BIOSCIENCES, INC. (US) 2014-06-24 US disclosed
US-20090137567-A1 Methods for Treating Blood Disorders HEMAQUEST PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
US-20090137567-A1 Methods for Treating Blood Disorders HEMAQUEST PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
EP-2023913-A2 METHODS FOR TREATING BLOOD DISORDERS Colorado State University Research Foundation (US) 2009-02-18 EP disclosed
US-20080075692-A1 prophylaxis of blood disorder such as sickle cell anemia, beta -thalassemia, neutropenia or thrombocytopenia, comprising administering carboxylic acids, that stimulates production of fetal hemoglobin, hematopoiesis, erythropoiesis, myelopoiesis and neutrophil production COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2008-03-27 US disclosed
US-20080075692-A1 prophylaxis of blood disorder such as sickle cell anemia, beta -thalassemia, neutropenia or thrombocytopenia, comprising administering carboxylic acids, that stimulates production of fetal hemoglobin, hematopoiesis, erythropoiesis, myelopoiesis and neutrophil production COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2008-03-27 US disclosed
WO-2007133653-A2 METHODS FOR TREATING BLOOD DISORDERS HEMAQUEST PHARMACEUTICALS, INC. (US) 2007-11-22 WO disclosed
WO-2007133653-A2 METHODS FOR TREATING BLOOD DISORDERS HEMAQUEST PHARMACEUTICALS, INC. (US) 2007-11-22 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 (6 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-12410262-B2 Peptide conjugates of cytotoxins as therapeutics TOP1, TOP2A, TOP2B CES2 2701/4885CES1 1112/4885BCAT2 1697/4885
US-11634508-B2 Peptide conjugates of cytotoxins as therapeutics TOP1, TOP2A, TOP2B CES2 2701/4885CES1 1112/4885BCAT2 1697/4885
US-20240010755-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS TOP1, TOP2A, TOP2B CES2 2701/4885CES1 1112/4885BCAT2 1697/4885
US-20090137567-A1 Methods for Treating Blood Disorders HBB, HBG1, HBG2 CES2 156/4885CES1 579/4885BCAT2 1401/4885
US-20210009719-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS TOP1, TOP2A, TOP2B CES2 2701/4885CES1 1112/4885BCAT2 1697/4885
US-20080075692-A1 prophylaxis of blood disorder such as sickle cell anemia, beta -thalassemia, neutropenia or thrombocytopenia, comprising administering carboxylic acids, that stimulates production of fetal hemoglobin, hematopoiesis, erythropoiesis, myelopoiesis and neutrophil production HBG1, HBG2, HBB CES2 2543/4885CES1 2068/4885BCAT2 132/4885

“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.