SCHEMBL6448813

SCHEMBL6448813

CCOC(=O)CC[C@H](NC(=O)c1ccc(N)cc1F)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPID Q08752 2/20 0.40
DHFR P00374 4/20 0.39
ALOX5 P09917 1/20 0.38
TYMS P04818 1/20 0.38
NOD2 Q9HC29 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL6448822 1.00 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL27519961 1.00 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL10828794 0.88 L3MBTL1 (0.56) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL10828801 0.88 L3MBTL1 (0.56) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9556474 0.86 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9556468 0.86 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9555886 0.85 L3MBTL1 (0.52) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9555878 0.85 L3MBTL1 (0.52) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9601134 0.83 L3MBTL1 (0.49) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9782470 0.82 ALOX5 (0.36) DHFRALOX5TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855712-B2 Combination of benzoquinazoline antifolates and protecting agents SMITHKLINE BEECHAM CORPORATION (US) 2005-02-15 US disclosed
US-6762188-B1 INHIBITING THYMIDYLATE SYNTHASE; COLON, BREAST OR LUNG CARCINOMA SMITHKLINE BEECHAM CORPORATION 2004-07-13 US disclosed
EP-1199307-B1 Pharmaceutically active benzoquinazoline compounds WELLCOME FOUND (GB) 2004-02-25 EP disclosed
US-20030203924-A1 Novel combination of benzoquinazoline antifolates and protecting agents SMITH GARY KEITH (US) 2003-10-30 US disclosed
US-6579877-B2 Reducing intestinal toxicity of a noncompetitive thymidylate synthase inhibitor by co-administering a folate derivative without blocking therapy; anticancer, antitumore agents SMITHKLINE BEECHAM CORPORATION 2003-06-17 US disclosed
US-20020137748-A1 Novel combination of benzoquinazoline antifolates and protecting agents SMITH GARY KEITH (US) 2002-09-26 US disclosed
EP-1199307-A1 Pharmaceutically active benzoquinazoline compounds THE WELLCOME FOUNDATION LIMITED (GB) 2002-04-24 EP disclosed
US-6358952-B1 SIDE EFFECT REDUCTION WHEN ADMINISTERING NON-COMPETITIVE THYMIDYLATE SYNTHASE INHIBITOR AS ANTITUMOR AGENT SMITHKLINE BEECHAM CORPORATION 2002-03-19 US disclosed
US-6090941-A Pharmaceutically active benzoquinazoline compounds GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
EP-0675719-B1 NOVEL COMBINATION OF BENZOQUINAZOLINE ANTIFOLATES AND PROTECTING AGENTS WELLCOME FOUND (GB) 1998-06-10 EP disclosed
US-5405851-A Administering benzoquinazoline thymidylate synthase inhibitors BURROUGHS WELLCOME CO. (US) 1995-04-11 US disclosed
WO-1994014448-A1 NOVEL COMBINATION OF BENZOQUINAZOLINE ANTIFOLATES AND PROTECTING AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-07-07 WO disclosed
US-5236927-A Reduced toxicity; side effect reduction NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-08-17 US disclosed
EP-0535034-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-07 EP disclosed
EP-0204529-B1 ANTI-CANCER QUINAZOLINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 1993-03-31 EP disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5081124-A Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 WO disclosed
US-4992550-A Thymidylate synthetase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0204529-A2 Anti-cancer quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 1986-12-10 EP 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-20030203924-A1 Novel combination of benzoquinazoline antifolates and protecting agents SLC19A1, DHFR, FOLR2 L3MBTL1 1558/4885KMT2A 2556/4885POLB 516/4885
US-20020137748-A1 Novel combination of benzoquinazoline antifolates and protecting agents SLC19A1, DHFR, FOLR2 L3MBTL1 1558/4885KMT2A 2556/4885POLB 516/4885

“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.