SCHEMBL901994

SCHEMBL901994

CC(C)(C)OC(=O)CC(N)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
SLC7A5 Q01650 2/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
ATM Q13315 1/20 0.46
KLK5 Q9Y337 2/20 0.44
MMP2 P08253 2/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
DPP4 P27487 1/20 0.44
ANPEP P15144 1/20 0.43
SRR Q9GZT4 1/20 0.42

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
SCHEMBL2295757 1.00 EPHX1 (0.48) EPHX1SLC7A5CA2CA9ALPI
SCHEMBL901961 1.00 EPHX1 (0.48) EPHX1SLC7A5CA2CA9ALPI
SCHEMBL1912535 0.91 CTSS (0.49) CA2CA9KLK5CTSSCTSK
Hydrochloric Acid SCHEMBL1912533 0.90 SRR (0.49) CA2CA9KLK5CTSSCTSK
SCHEMBL6177689 0.84 ATM (0.48) SLC7A5CA2CA9ATMKLK5
SCHEMBL12889353 0.84 SLC15A1 (0.52) SLC7A5KLK5
SCHEMBL9196126 0.83 ATM (0.47) SLC7A5CA2CA9ATMKLK5
SCHEMBL6343323 0.82 EPHX1 (0.53) EPHX1SLC7A5ALPIPKMPTGS1
SCHEMBL27846893 0.82 EPHX1 (0.53) EPHX1SLC7A5ALPIPKMPTGS1
SCHEMBL2632623 0.82 EPHX1 (0.53) EPHX1SLC7A5ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834220-B1 4-HYDROXY-ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN INC (US) 2016-11-09 EP disclosed
US-9409892-B2 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors FIBROGEN, INC. (US) 2016-08-09 US disclosed
EP-2834220-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS Fibrogen, Inc. (US) 2015-02-11 EP disclosed
US-20150038528-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN, INC. 2015-02-05 US disclosed
WO-2013134660-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2013-09-12 WO disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
CN-102321020-A The lxr receptor regulator FOURNIER LAB SA 2012-01-18 CN disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
CN-101248043-A Novel 2-azetidinone derivatives as cholesterol absorption inhibitors useful for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2008-08-20 CN disclosed
CN-1950340-A LXR receptor modulators FOURNIER LAB SA (FR) 2007-04-18 CN disclosed
CN-1268610-C Sulfonamide derivatives NOVARTIS AG (CH) 2006-08-09 CN disclosed
CN-1509269-A Sulfonamide derivatives ��˹��ŵ�� 2004-06-30 CN disclosed
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 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 (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-20150038528-A1 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS EGLN3, HIF1AN, EGLN2 EPHX1 890/4885SLC7A5 3479/4885CA2 977/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A EPHX1 1552/4885SLC7A5 4114/4885CA2 2467/4885

“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.