SCHEMBL6313152

SCHEMBL6313152

CCOC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.57
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
P2RY12 Q9H244 2/20 0.51
CYP26A1 O43174 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL3706987 1.00 L3MBTL1 (0.61) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8242593 0.93 L3MBTL1 (0.58) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2251586 0.93 L3MBTL1 (0.58) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL27584197 0.93 L3MBTL1 (0.65) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL27630597 0.92 L3MBTL1 (0.52) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL16509378 0.89 L3MBTL1 (0.61) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL11631569 0.88 L3MBTL1 (0.67) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL11631574 0.88 L3MBTL1 (0.67) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10829643 0.88 L3MBTL1 (0.50) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10829650 0.88 L3MBTL1 (0.50) L3MBTL1HSD17B10KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117625710-A Preparation method of (S) -5-oxo piperidine-2-carboxylic ester 北京理工大学 2024-03-01 CN disclosed
CN-114456170-B Preparation method of stable isotope labeled methotrexate internal standard reagent 谱同生物医药科技(常州)有限公司 2023-08-11 CN disclosed
US-6962920-B2 Pyrimidine derivatives and methods of making and using these derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2005-11-08 US disclosed
US-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2004-02-26 US disclosed
US-6696455-B1 NITROGEN COMPOUNDS SUCH AS 6-CHLORO-2-METHYL-4-OXO-PYRIDO (3,2-D)PYRIMIDINE USED AS ANTICARCINOGENIC AGENTS AND/OR FOR PROPHYLAXIS OF INFECTIONS CAUSED BY PNEUMOCYSTIS OR TOXOPLASMA DUQUESNE UNIVERSITY OF THE HOLY GHOST 2004-02-24 US disclosed
US-6537999-B2 Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-03-25 US disclosed
US-6420370-B1 ANTITUMOR, ANTIBIOTIC, ANTIMALARIAL, ANTIFUNGAL OR ANTIPROTOZOAL AGENTS, OR AS SYNERGISTIC AGENTS ENZYME INHIBITORS DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-07-16 US disclosed
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2002-05-02 US disclosed
US-6103727-A RESISTING AND TREATING PNEUNOCYSTIS CARINII AND TOXOPLASMOSIS GONDII INFECTIONS IN IMMUNOCOMPROMISED PATIENTS; AUTOMIMMUNE DISEASES; AIDS; ANTICARCINOGENIC,-TUMOR,-PROTAZOA AGENTS; MALARIA; FUNGICIDES; SYNERGISTIC WITH SULFONAMIDES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-08-15 US disclosed
US-6096750-A Furopyrimidines and methods of making and using the same derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-08-01 US disclosed
US-5958930-A TREATING CANCER, AND SECONDARY INFECTIONS CAUSED BY PNEUMOCYSTIS CARINII AND TOXOPLASMOSIS GONDII IN IMMUNOCOMPROMISED PATIENTS. DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1999-09-28 US disclosed
US-5877178-A AIDS THERAPY DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 1999-03-02 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 (2 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-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD L3MBTL1 2427/4885HSD17B10 4080/4885KDM4E 2353/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD L3MBTL1 2427/4885HSD17B10 4080/4885KDM4E 2353/4885

“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.