SCHEMBL1064244

SCHEMBL1064244

N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 1.00
ALOX15 P16050 3/20 1.00
ALDH1A1 P00352 2/20 1.00
KDM4E B2RXH2 1/20 1.00
GRM4 Q14833 6/20 0.68
GRM2 Q14416 5/20 0.68
GRM3 Q14832 5/20 0.68
CYP2C19 P33261 4/20 0.68
GRM6 O15303 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
GRM8 O00222 2/20 0.68
LMNA P02545 1/20 0.68
GRM5 P41594 1/20 0.68
MTOR P42345 1/20 0.68
GRM1 Q13255 1/20 0.68
PLCB1 Q9NQ66 1/20 0.68
TSHR P16473 1/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
CYP2D6 P10635 1/20 0.65

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
SCHEMBL1063416 1.00 CYP1A2 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL1263461 1.00 CYP1A2 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL2157698 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL235442 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL179741 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL719389 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL481144 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL4835874 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL935371 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4
SCHEMBL3125919 0.81 GRM4 (1.00) CYP1A2ALOX15ALDH1A1KDM4EGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486892-B2 Blood coagulation factor inhibitors NOVO NORDISK HEALTH CARE AG (CH) 2013-07-16 US claimed
US-20110229453-A1 BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (CH) 2011-09-22 US claimed
US-20110003752-A1 New Blood Coagulation Factor Inhibitors NOVO NORDISK HEALTH CARE A/G (CH) 2011-01-06 US claimed
JP-2010536824-A 2010-12-02 JP claimed
EP-2235042-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS Novo Nordisk Health Care AG (CH) 2010-10-06 EP claimed
EP-2190860-A1 BLOOD COAGULATION FACTOR INHIBITORS Novo Nordisk Health Care AG (CH) 2010-06-02 EP claimed
WO-2009092758-A1 NEW BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2009-07-30 WO claimed
WO-2009024571-A1 BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (DK) 2009-02-26 WO claimed
US-8961931-B2 18F-labeled monomeric galactose derivative used as tomography probe INSTITUTE OF NUCLEAR ENERGY RESEARCH, ATOMIC ENERGY COUNCIL (TW) 2015-02-24 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8486892-B2 Blood coagulation factor inhibitors NOVO NORDISK HEALTH CARE AG (CH) 2013-07-16 US disclosed
US-20120259102-A1 18F-Labeled Monomeric Galactose Derivative Used as Tomography Probe ATOMIC ENERGY COUNCIL-INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2012-10-11 US disclosed
US-20110229453-A1 BLOOD COAGULATION FACTOR INHIBITORS NOVO NORDISK HEALTH CARE AG (CH) 2011-09-22 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-5658782-A AN ISOLATED NUCLEIC ACID COMPRISING A NUCLEOTIDE SEQUENCE ENCODING A HUMAN EXCITATORY AMINO ACID TRANSPORTER PROTEIN; GENETIC ENGINEERING STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY A NON-PROFIT ORGANIZATION (US) 1997-08-19 US disclosed
EP-0724637-A1 CORTICOTROPIN-RELEASING FACTOR 2 RECEPTORS NEUROCRINE BIOSCIENCES, INC. (US) 1996-08-07 EP disclosed
WO-1995034651-A2 CORTICOTROPIN-RELEASING FACTOR2 RECEPTORS NEUROCRINE BIOSCIENCES, INC. (US) 1995-12-21 WO disclosed
EP-0610336-A1 TREATMENT OF NEUROLOGICAL CONDITIONS BY AN INTERLEUKIN-1 INHIBITING COMPOUND THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1994-08-17 EP disclosed
WO-1993008819-A1 TREATMENT OF NEUROLOGICAL CONDITIONS BY AN INTERLEUKIN-1 INHIBITING COMPOUND THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1993-05-13 WO disclosed
WO-1993008820-A1 TREATMENT OF NEUROLOGICAL CONDITIONS BY AN INTERLEUKIN-1 INHIBITING COMPOUND THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1993-05-13 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-20120259102-A1 18F-Labeled Monomeric Galactose Derivative Used as Tomography Probe UGGT1, GALK1, GALE CYP1A2 2134/4885ALOX15 3639/4885ALDH1A1 960/4885
US-20110003752-A1 New Blood Coagulation Factor Inhibitors F7, F12, F5 CYP1A2 1341/4885ALOX15 1914/4885ALDH1A1 4724/4885
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS CYP1A2 4732/4885ALOX15 4508/4885ALDH1A1 4360/4885
US-20110229453-A1 BLOOD COAGULATION FACTOR INHIBITORS F5, TFPI, F7 CYP1A2 492/4885ALOX15 1124/4885ALDH1A1 2165/4885

“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.