SCHEMBL6665196

SCHEMBL6665196

CC(CCC(=O)O)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
GABRP O00591 2/20 0.58
GABRD O14764 2/20 0.58
GABRA1 P14867 2/20 0.58
GABRB1 P18505 2/20 0.58
GABRG2 P18507 2/20 0.58
GABRB3 P28472 2/20 0.58
GABRA5 P31644 2/20 0.58
GABRA3 P34903 2/20 0.58
GABRA2 P47869 2/20 0.58
GABRB2 P47870 2/20 0.58
GABRA4 P48169 2/20 0.58
GABRE P78334 2/20 0.58
GABRA6 Q16445 2/20 0.58
GABRG1 Q8N1C3 2/20 0.58
GABRG3 Q99928 2/20 0.58
GABRQ Q9UN88 2/20 0.58
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46

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
SCHEMBL26475764 1.00 CYP1A2 (0.65) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL15601864 1.00 CYP1A2 (0.65) CYP1A2GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL28246595 0.98 CYP1A2 (0.62) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL29150389 0.84 FFAR4 (0.52) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL15774679 0.82 ALOX15 (0.46) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL487784 0.82 ALOX15 (0.46) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL14895150 0.82 ALOX15 (0.46) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL21026616 0.80 ALDH1A1 (0.43) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL12203864 0.79 GABRR1 (0.64) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL7321898 0.79 CYP1A2 (1.00) CYP1A2GABRPGABRDGABRA1GABRB1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP claimed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO claimed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-11564971-B2 Hyaluronic acid derivative having amino acid and steryl group introduced thereinto CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-31 US disclosed
EP-3919072-A1 CANCER VACCINE PREPARATION Mie University (JP) 2021-12-08 EP disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
US-9950025-B2 Compositions and methods for treatment of neoplastic disease INNATE IMMUNOTHERAPEUTICS LIMITED (NZ) 2018-04-24 US disclosed
WO-2017099823-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2017-06-15 WO disclosed
CN-103502317-B Macroinitiators containing hydrophobic segments 庄臣及庄臣视力保护公司 2017-02-08 CN disclosed
US-20160354424-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEOPLASTIC DISEASE INNATE THERAPEUTICS LTD (NZ) 2016-12-08 US disclosed
US-20150231268-A1 HYALURONIC ACID DERIVATIVE HAVING AMINO ACID AND STERYL GROUP INTRODUCED THEREINTO CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-20 US disclosed
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
EP-1432687-A2 SUBSTITUTED 5-MEMBERED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-06-30 EP disclosed
WO-2003093242-A2 SUBSTITUTED 5-MEMBERED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-11-13 WO disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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 (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-20160354424-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEOPLASTIC DISEASE IAPP, DNPEP, MICA CYP1A2 4882/4885GABRP 2708/4885GABRD 2390/4885
US-20150231268-A1 HYALURONIC ACID DERIVATIVE HAVING AMINO ACID AND STERYL GROUP INTRODUCED THEREINTO CD44, DAO, FUT6 CYP1A2 2306/4885GABRP 510/4885GABRD 543/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 CYP1A2 4154/4885GABRP 1751/4885GABRD 2559/4885
US-11564971-B2 Hyaluronic acid derivative having amino acid and steryl group introduced thereinto CD44, DAO, FUT6 CYP1A2 2306/4885GABRP 510/4885GABRD 543/4885

“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.