SCHEMBL158602

SCHEMBL158602

NC1(C(=O)O)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
GRM4 Q14833 8/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GRM8 O00222 2/20 0.41
GRM6 O15303 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 4/20 0.40
GRM3 Q14832 4/20 0.40
LMNA P02545 1/20 0.40
GRM5 P41594 1/20 0.40
MTOR P42345 1/20 0.40
GRM1 Q13255 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
Hydrochloric Acid SCHEMBL2003747 0.97 NSD2 (0.42) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL5187625 0.86 NSD2 (0.43) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL16868374 0.85
SCHEMBL2805443 0.85
SCHEMBL185263 0.85
Hydrochloric Acid SCHEMBL5097246 0.84 NSD2 (0.41) NSD2GRM4CYP1A2CYP2C19ALOX15
Hydrochloric Acid SCHEMBL3032015 0.83 NSD2 (0.39) NSD2GRM4CYP1A2CYP2C19ALOX15
Hydrochloric Acid SCHEMBL4668034 0.82 CYP2C19 (0.37) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL28641573 0.81 NSD2 (0.31) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL31348874 0.80 NSD2 (0.63) NSD2GRM4CYP1A2CYP2C19ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116921-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES PROTAGONIST THERAPEUTICS INC (US) 2026-04-30 US claimed
EP-4127157-B1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS ENCODIA INC (US) 2026-02-11 EP claimed
EP-4658374-A1 METHODS FOR PREPARING CRYSTALLINE PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR Janssen Pharmaceutica NV (BE) 2025-12-10 EP claimed
EP-4613761-A9 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2025-10-22 EP claimed
EP-4622991-A2 SYNTHESIS OF A CYCLIC PEPTIDE Janssen Pharmaceutica NV (BE) 2025-10-01 EP claimed
EP-4613761-A2 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2025-09-10 EP claimed
EP-4090670-B1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES JANSSEN BIOTECH INC (US) 2025-06-04 EP claimed
WO-2025109003-A1 P-CADHERIN LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-05-30 WO claimed
US-20240383954-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES JANSSEN BIOTECH INC (US) 2024-11-21 US claimed
WO-2024163643-A1 METHODS FOR PREPARING CRYSTALLINE PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2024-08-08 WO claimed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 WO claimed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US claimed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US claimed
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP claimed
EP-1917020-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2008-05-07 EP claimed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO claimed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 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
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

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

For each of this compound's patents that has machine-readable text (4 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-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 NSD2 4353/4885GRM4 517/4885CYP1A2 4861/4885
US-20240383954-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, VIP NSD2 4699/4885GRM4 3421/4885CYP1A2 4523/4885
US-20260116921-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, IL36G NSD2 4565/4885GRM4 4280/4885CYP1A2 4663/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS NSD2 3726/4885GRM4 1216/4885CYP1A2 4197/4885

“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.