SCHEMBL3799840

SCHEMBL3799840

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TP53 P04637 1/20 0.35
DGAT1 O75907 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
LMNA P02545 1/20 0.34
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CTSK P43235 4/20 0.33
CTSS P25774 2/20 0.33
AAK1 Q2M2I8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL1088194 1.00 KMT2A (0.37) KMT2AMEN1GAACA12CA14
SCHEMBL1721887 1.00 KMT2A (0.37) KMT2AMEN1GAACA12CA14
Methylamine SCHEMBL23581198 0.95 KMT2A (0.35) KMT2AMEN1GAACA12CA14
SCHEMBL526638 0.87 NOS1 (0.40) KMT2AMEN1GAACA12CA14
SCHEMBL27638578 0.84 BTK (0.31) KMT2AMEN1GAA
SCHEMBL5167058 0.80 AAK1 (0.38) KMT2ALMNAAAK1MAPT
SCHEMBL1141948 0.80 CA12 (0.35) KMT2AGAACA12CA14DGAT1
SCHEMBL28734572 0.79 TP53 (0.31) TP53
Hydrogen Peroxide SCHEMBL22069989 0.79 CA12 (0.37) KMT2AMEN1GAACA12CA14
Hydrogen Peroxide SCHEMBL28045178 0.79 CA12 (0.37) KMT2AMEN1GAACA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 US disclosed
EP-1865958-B1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2015-07-08 EP disclosed
US-8916576-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2014-12-23 US disclosed
CN-101208094-B Pharmacokinetic improved compounds SURFACE LOGIX, INC. (US) 2014-10-15 CN disclosed
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2013-05-23 US disclosed
US-8357693-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2013-01-22 US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
CN-101208094-A Pharmacokinetic improved compounds SURFACE LOGIX INC (US) 2008-06-25 CN disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 EP disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 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 (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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MEN1 385/4885GAA 1560/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MEN1 385/4885GAA 1560/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MEN1 385/4885GAA 1560/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MEN1 385/4885GAA 1560/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MEN1 385/4885GAA 1560/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MEN1 385/4885GAA 1560/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MEN1 385/4885GAA 1560/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA KMT2A 2288/4885MEN1 1253/4885GAA 2857/4885

“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.