SCHEMBL693428

SCHEMBL693428

O=C(O)CN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HIF1A Q16665 2/20 0.50
NR4A2 P43354 1/20 0.45
CES1 P23141 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 1/20 0.44
CES2 O00748 2/20 0.44
TSHR P16473 2/20 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
SCHEMBL17003209 1.00 HSD17B10 (0.64) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL8250205 0.83 CYP1A2 (0.55) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL5998675 0.83 L3MBTL1 (0.48) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL17003212 0.81 PRSS1 (0.44) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL6301356 0.79 CYP1A2 (0.47) HSD17B10CYP1A2CYP2D6SMN1; SMN2MAPT
SCHEMBL2331407 0.78 NR4A2 (0.52) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL17489043 0.78 CYP1A2 (1.00) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL14286180 0.78 CYP1A2 (1.00) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL478673 0.78 TSHR (0.48) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL13398132 0.78 CYP1A2 (0.42) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112340-B1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO, AND PRECURSOR OF 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO STELLA PHARMA CORP (JP) 2020-07-15 EP claimed
US-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2015-11-19 US claimed
EP-2907818-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE Stella Pharma Corporation (JP) 2015-08-19 EP claimed
US-8324417-B2 Process for the preparation of (S)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid and alkyl esters and acid salts thereof VIROBAY, INC. (US) 2012-12-04 US claimed
WO-2011022429-A2 PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF VIROBAY, INC. (US) 2011-02-24 WO claimed
US-20110046406-A1 PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF VIROBAY, INC. (US) 2011-02-24 US claimed
EP-1878720-B1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMA (US) 2010-10-06 EP claimed
JP-58150551-A None JP disclosed
US-12435028-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate CELGENE CORPORATION (US) 2025-10-07 US disclosed
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
US-12281101-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2025-04-22 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-5506258-A EXHIBIT AFFINITY FOR THE BIOLOGICAL RECEPTORS OF NEUROPEPTIDES Y, WHICH ARE PRESENT IN THE CENTRAL AND PERIPHERAL NERVOUS SYSTEMS ELF SANOFI (FR) 1996-04-09 US disclosed
WO-1995008550-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1995-03-30 WO disclosed
EP-0614911-A1 Compounds having a sulfonamide and an amidinegroup, process for preparation and pharmaceutical compositions comprising them SANOFI (FR) 1994-09-14 EP disclosed
EP-0536262-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP disclosed
EP-0311473-A1 Fluorinated derivate of amino acids, useful as tensioactive or cotensioactive agents, and preparations for biomedical use containing these derivatives APPLICATIONS ET TRANSFERTS DE TECHNOLOGIES AVANCEES ATTA (FR) 1989-04-12 EP disclosed
JP-S58150551-A N-(DIPHENYLMETHYLENE)SERINE AND PREPARATION THEREOF TORAY IND INC 1983-09-07 JP disclosed
EP-0047516-A1 Propylamine derivative and process of manufacturing the same TORAY INDUSTRIES, INC. (JP) 1982-03-17 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 (7 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-20110046406-A1 PROCESS FOR THE PREPARATION OF (S)-2-AMINO-5-CYCLOPROPYL-4,4-DIFLUOROPENTANOIC ACID AND ALKYL ESTERS AND ACID SALTS THEREOF DNPEP, CTRL, CTSS HSD17B10 2070/4885CYP1A2 1027/4885CYP2D6 704/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS HSD17B10 4794/4885CYP1A2 4845/4885CYP2D6 4576/4885
US-12281101-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 HSD17B10 942/4885CYP1A2 61/4885CYP2D6 159/4885
US-12435028-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B HSD17B10 1426/4885CYP1A2 1763/4885CYP2D6 272/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS HSD17B10 4794/4885CYP1A2 4845/4885CYP2D6 4576/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 HSD17B10 1103/4885CYP1A2 213/4885CYP2D6 902/4885
US-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE FFAR3, BRS3, FSHR HSD17B10 411/4885CYP1A2 362/4885CYP2D6 577/4885

“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.