SCHEMBL4147133

SCHEMBL4147133

CC(C)OC(=O)c1ncccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
ALOX15 P16050 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
AGER Q15109 1/20 0.61
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.46
NAPRT Q6XQN6 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL28241780 0.90 MAPT (0.50) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL28428672 0.87 KDM4E (0.61) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL6915981 0.86 KDM4E (0.56) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL4069169 0.86 MAPT (0.45) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL29559479 0.81 KDM4E (0.67) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL519094 0.81 KDM4E (0.67) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL311087 0.81 KDM4E (0.71) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL9944385 0.80 ELANE (0.46) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL4060677 0.80 KMT2A (0.47) KDM4EALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL27869506 0.80 ALDH1A1 (0.69) KDM4EALDH1A1MAPTL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111004171-A Novel synthesis method of 3-fluoropyridine-2-methanol 南开大学 2020-04-14 CN claimed
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111004171-A Novel synthesis method of 3-fluoropyridine-2-methanol 南开大学 2020-04-14 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
CN-1726212-A Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES INC (US) 2006-01-25 CN disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 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 (8 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 KDM4E 1925/4885ALDH1A1 1113/4885MAPT 4600/4885
US-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885ALDH1A1 2955/4885MAPT 1418/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 KDM4E 1139/4885ALDH1A1 2541/4885MAPT 4371/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 KDM4E 1139/4885ALDH1A1 2541/4885MAPT 4371/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 KDM4E 1594/4885ALDH1A1 1902/4885MAPT 4602/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885ALDH1A1 2788/4885MAPT 2025/4885
US-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 KDM4E 647/4885ALDH1A1 333/4885MAPT 4490/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI KDM4E 960/4885ALDH1A1 1220/4885MAPT 3583/4885

“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.