SCHEMBL6742365

SCHEMBL6742365

CC(C)(C)OC(=O)[C@H](CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
SLC7A5 Q01650 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
GABRR1 P24046 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DGAT1 O75907 1/20 0.31
CTSS P25774 2/20 0.30
CTSK P43235 2/20 0.30

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
SCHEMBL27353798 1.00 KMT2A (0.38) KMT2AMEN1GAANOS1NOS3
SCHEMBL2552608 1.00 KMT2A (0.38) KMT2AMEN1GAANOS1NOS3
Hydrochloric Acid SCHEMBL27995082 0.98 KMT2A (0.37) KMT2AMEN1GAANOS1NOS3
Hydrochloric Acid SCHEMBL27995084 0.98 KMT2A (0.37) KMT2AMEN1GAANOS1NOS3
SCHEMBL27747509 0.91 NOS1 (0.36) KMT2AMEN1GAANOS1NOS3
SCHEMBL3693114 0.83 CA12 (0.38) KMT2AMEN1GAANOS1NOS3
SCHEMBL3693112 0.83 CA12 (0.38) KMT2AMEN1GAANOS1NOS3
SCHEMBL27930493 0.83 GABRR1 (0.43) KMT2AMEN1GAANOS1NOS3
SCHEMBL27798380 0.83 DGAT1 (0.33) KMT2ANOS1NOS3NOS2LMNA
SCHEMBL27657696 0.83 GABRR1 (0.43) KMT2AMEN1GAANOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024258-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2014-09-03 CN disclosed
CN-101889011-B Derivatives of 6,7-dihydro-5h-imidazo[1,2-a]imidazole-3- carboxylic acid amides BOEHRINGER INGELHEIM INT 2014-05-28 CN disclosed
CN-102448960-A Derivatives of 6,7-dihydro-5h-imidazo[1,2-a]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INT 2012-05-09 CN disclosed
CN-102143944-A Organic compounds NABRIVA THERAPEUTICS AG 2011-08-03 CN disclosed
CN-101889011-A Derivatives of 6,7-dihydro-5h-imidazo[1,2-a]imidazole-3- carboxylic acid amides BOEHRINGER INGELHEIM INT 2010-11-17 CN disclosed
CN-1753891-A Ccr-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-03-29 CN disclosed
CN-1575283-A Piperazine derivatives having CCR1 receptor antagonist activity PFIZER PROD INC (US) 2005-02-02 CN disclosed
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US disclosed
CN-1529699-A Novel sulfonic acid derivatives �Ʒ� 2004-09-15 CN disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 US disclosed
CN-1450999-A Novel piperazine derivatives PFIZER PROD INC (US) 2003-10-22 CN disclosed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 KMT2A 3604/4885MEN1 2967/4885GAA 1306/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 KMT2A 4143/4885MEN1 2295/4885GAA 1288/4885

“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.