SCHEMBL852209

SCHEMBL852209

O=C(O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 7/20 0.76
SLC1A2 P43004 7/20 0.76
SLC1A1 P43005 7/20 0.76
KMT2A Q03164 2/20 0.76
CYP1A2 P05177 2/20 0.76
MEN1 O00255 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
ALDH1A1 P00352 3/20 0.50
PTGS2 P35354 1/20 0.50
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.46
SRR Q9GZT4 1/20 0.46
TP53 P04637 1/20 0.45
ALPI P09923 1/20 0.45

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
SCHEMBL1953602 1.00 SLC1A3 (0.76) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL418322 1.00 SLC1A3 (0.76) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
Water SCHEMBL30419716 0.98 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL28285770 0.91 SLC1A2 (0.65) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL21873930 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2596995 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2597203 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2004120 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2004125 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2819524 0.87 SLC1A2 (1.00) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116271245-A Bionic tendon sheath membrane with medicine slow-release function and preparation method thereof 河北医科大学第三医院 2023-06-23 CN claimed
US-8778069-B2 Phase change inks containing oligomeric rosin esters XEROX CORPORATION (US) 2014-07-15 US claimed
US-20140137767-A1 Phase Change Inks Containing Oligomeric Rosin Esters XEROX CORPORATION (US) 2014-05-22 US claimed
WO-2009084024-A2 A PROCESS FOR THE PREPARATION OF R-SIT AGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF GLENMARK GENERICS LIMITED (IN) 2009-07-09 WO claimed
EP-3807243-B1 A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL PHARMATHEN SA (GR) 2024-05-22 EP disclosed
CN-112424177-B One-pot organic pseudo-catalytic C-H activation method for preparing vortioxetine and vortioxetine intermediate VIO制药公司 2024-05-03 CN disclosed
US-20240024312-A1 PHARMACEUTICAL COMPOSITIONS OF SITAGLIPTIN ZYDUS LIFESCIENCES LIMITED (IN) 2024-01-25 US disclosed
US-11851503-B2 Antiplasmodial compounds UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-12-26 US disclosed
CN-116271245-A Bionic tendon sheath membrane with medicine slow-release function and preparation method thereof 河北医科大学第三医院 2023-06-23 CN disclosed
US-20220144894-A1 ANTIPLASMODIAL COMPOUNDS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2022-05-12 US disclosed
US-11230569-B2 Antiplasmodial compounds UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2022-01-25 US disclosed
US-11198671-B2 One-pot organo-pseudocatalytic C—H activation approach for the preparation of vortioxetine and vortioxetine intermediate VIO AG PHARMACEUTICALS S.A. (GR) 2021-12-14 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6320069-B1 REACTING RACEMIC ALCOHOL WITH OPTICALLY ACTIVE AMINO ACID TO PRODUCE AMINO ACID ESTER, PERFORMING DIASTEREOMER RESOLUTION THEREON BY PROCESS SELECTED FROM CRYSTALLIZATION SEPARATION, COLUMN SEPARATION AND SIMULATED MOVING BED SEPARATION TORAY INDUSTRIES, INC. (JP) 2001-11-20 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
EP-0924180-A1 PROCESSES FOR THE PREPARATION OF OPTICALLY ACTIVE KETONES TORAY INDUSTRIES, INC. (JP) 1999-06-23 EP disclosed
US-4652672-A BETA BLOCKERS LINDNER WOLFGANG F (AT) 1987-03-24 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 (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-20240024312-A1 PHARMACEUTICAL COMPOSITIONS OF SITAGLIPTIN DPP4, NT5C, DPP7 SLC1A3 2362/4885SLC1A2 2776/4885SLC1A1 2051/4885
US-11230569-B2 Antiplasmodial compounds MGST3, G6PD, GPX4 SLC1A3 4087/4885SLC1A2 4437/4885SLC1A1 4034/4885
US-11198671-B2 One-pot organo-pseudocatalytic C—H activation approach for the preparation of vortioxetine and vortioxetine intermediate DBH, HTR5A, SLC6A4 SLC1A3 2371/4885SLC1A2 1493/4885SLC1A1 2352/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SLC1A3 4116/4885SLC1A2 3004/4885SLC1A1 3025/4885
US-20220144894-A1 ANTIPLASMODIAL COMPOUNDS MGST3, G6PD, GPX4 SLC1A3 4087/4885SLC1A2 4437/4885SLC1A1 4034/4885
US-11851503-B2 Antiplasmodial compounds MGST3, G6PD, GPX4 SLC1A3 4087/4885SLC1A2 4437/4885SLC1A1 4034/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SLC1A3 4116/4885SLC1A2 3004/4885SLC1A1 3025/4885

“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.