SCHEMBL3295121

SCHEMBL3295121

CCOC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.58
MAPT P10636 1/20 0.56
GAA P10253 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
ELANE P08246 1/20 0.55
PRSS3 P35030 1/20 0.55
TPSAB1 Q15661 1/20 0.55
TPSD1 Q9BZJ3 1/20 0.55
TPSG1 Q9NRR2 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54

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
Glycolic Acid SCHEMBL27895348 0.95 HTT (0.60) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL21559798 0.92 HTT (0.72) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL4036721 0.90 HTT (0.58) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL2516832 0.88 HTT (0.66) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL27895349 0.88 HTT (0.63) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL7769202 0.87 NPC1 (0.50) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL28383136 0.86 HTT (0.68) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL27805304 0.86 HTT (0.52) HTTLMNASMN1; SMN2HDAC3HDAC4
SCHEMBL8743242 0.86 POLB (0.55) HTTLMNAL3MBTL1HDAC3HDAC4
SCHEMBL18765240 0.86 SIRT2 (0.60) HTTLMNASMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 US disclosed
US-7456168-B2 2-(pyridin-2-ylamino)-pyrido[2,3, d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2008-11-25 US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP disclosed
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY 2007-08-02 US disclosed
US-7208489-B2 Inhibitors of cyclin-dependent kinases 4 (cdk4); treating proliferative disorders such as cancer; salt of 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one for example WARNER-LAMBERT COMPANY (US) 2007-04-24 US disclosed
EP-1470124-B1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-12-28 EP disclosed
US-6936612-B2 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2005-08-30 US disclosed
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY 2005-06-23 US disclosed
EP-1470124-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2004-10-27 EP disclosed
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 US disclosed
WO-2003062236-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO disclosed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
EP-1015458-A1 FUROPYRROLIDINE DERIVATIVES AND THEIR USE AS SERINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
CN-1046724-C Pyrazolopyridine compounds, pharmaceutical compositions containing them, processes for their preparation and their use FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-24 CN disclosed
WO-1999012936-A1 FUROPYRROLIDINE DERIVATIVES AND THEIR USE AS SERINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
CN-1139928-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-01-08 CN disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 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 (4 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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS HTT 3315/4885LMNA 1776/4885SMN1; SMN2 3267/4885
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 HTT 3595/4885LMNA 2026/4885SMN1; SMN2 2809/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 HTT 3568/4885LMNA 2270/4885SMN1; SMN2 3065/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 HTT 3584/4885LMNA 1984/4885SMN1; SMN2 2785/4885

“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.