SCHEMBL12379300

SCHEMBL12379300

COc1ccc(Oc2ccc(C[C@H](N)CO)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
LDHA P00338 1/20 0.51
PCNA P12004 1/20 0.50
LIG1 P18858 1/20 0.50
LTA4H P09960 2/20 0.47
KIF11 P52732 2/20 0.46
POLB P06746 1/20 0.45
PARP10 Q53GL7 1/20 0.44
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44
TAAR1 Q96RJ0 1/20 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
Hydrochloric Acid SCHEMBL2292948 0.98 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL334385 0.94 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL334384 0.94 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL16767542 0.94 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL656814 0.85 SLC6A4 (0.73) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL12379282 0.84 LTA4H (0.60) PCNALIG1LTA4H
SCHEMBL12379287 0.84 LTA4H (0.60) PCNALIG1LTA4H
Hydrochloric Acid SCHEMBL6479299 0.82 LTA4H (0.58) PCNALIG1LTA4H
Hydrochloric Acid SCHEMBL2287540 0.82 LTA4H (0.58) PCNALIG1LTA4H
Hydrochloric Acid SCHEMBL2296279 0.82 LTA4H (0.58) PCNALIG1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
WO-2008019306-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US 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 (1 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-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION LTA4H, LTB4R2, LTB4R SLC6A4 1860/4885CYP1A2 275/4885CYP2D6 522/4885

“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.