SCHEMBL1622689

SCHEMBL1622689

CCOC(=O)/C(=C\OC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.42
GLO1 Q04760 1/20 0.42
SOAT1 P35610 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 4/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CYP2C9 P11712 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 4/20 0.34

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
SCHEMBL13497221 0.85 ALDH1A1 (0.46) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2
SCHEMBL1284863 0.83 NPSR1 (0.39) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2
SCHEMBL1985647 0.83 NPSR1 (0.39) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2
SCHEMBL12737271 0.83 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2
SCHEMBL5531263 0.83 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2
SCHEMBL28450802 0.83 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2
SCHEMBL26418631 0.82 ALDH1A1 (0.33) ALDH1A1TSHREGLN1HCAR2
SCHEMBL5144387 0.80 NPSR1 (0.43) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2
SCHEMBL5144385 0.80 NPSR1 (0.43) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2
SCHEMBL7600152 0.79 NPSR1 (0.46) NPSR1GLO1SOAT1ALDH1A1SMN1; SMN2

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-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2023-07-20 US disclosed
US-11654136-B2 Phosphoinositide 3-kinase inhibitor with a zinc binding moiety CURIS, INC. (US) 2023-05-23 US disclosed
US-20180133223-A1 COMBINATION THERAPY WITH A PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY CURIS, INC. 2018-05-17 US disclosed
US-20180134709-A1 PURINYL-N-HYDROXYL PYRIMIDINE FORMAMIDE DERIVATIVE, PREPARATION METHODS AND USES THEREOF CHENGDU ZENITAR BIOMEDICAL TECHNOLOGY CO., LTD. (CN) 2018-05-17 US disclosed
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2017-12-21 US disclosed
US-20170304279-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY CURIS INC (US) 2017-10-26 US disclosed
US-9725461-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2017-08-08 US disclosed
US-9657032-B2 Phosphoinositide 3-kinase inhibitor with a zinc binding moiety CURIS, INC. (US) 2017-05-23 US disclosed
US-20160185796-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY CURIS INC (US) 2016-06-30 US disclosed
US-9249156-B2 Phosphoinositide 3-kinase inhibitor with a zinc binding moiety CURIS, INC. (US) 2016-02-02 US disclosed
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2015-07-23 US disclosed
US-8906909-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2014-12-09 US disclosed
US-20140243330-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2014-08-28 US disclosed
US-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2014-06-05 US disclosed
US-8710219-B2 Phosphoinositide 3-kinase inhibitor with a zinc binding moiety CURIS, INC. (US) 2014-04-29 US disclosed
US-8461157-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-06-11 US disclosed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
US-20130090335-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY CURIS,INC. 2013-04-11 US disclosed
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 US disclosed
EP-2157095-A2 Synthesis of beta-L-2-Deoxy nucleosides Novartis Ag (CH) 2010-02-24 EP 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 (13 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-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB NPSR1 4697/4885GLO1 4472/4885SOAT1 2290/4885
US-20130090335-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY HDAC1, PI4KA, PDPK1 NPSR1 4579/4885GLO1 4378/4885SOAT1 1395/4885
US-20170304279-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY HDAC1, PI4KA, PDPK1 NPSR1 4579/4885GLO1 4378/4885SOAT1 1395/4885
US-20180134709-A1 PURINYL-N-HYDROXYL PYRIMIDINE FORMAMIDE DERIVATIVE, PREPARATION METHODS AND USES THEREOF HDAC5, HDAC2, HDAC8 NPSR1 3164/4885GLO1 4705/4885SOAT1 1408/4885
US-20170362251-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB NPSR1 4697/4885GLO1 4472/4885SOAT1 2290/4885
US-20140243330-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY HDAC1, PI4KA, PDPK1 NPSR1 4579/4885GLO1 4378/4885SOAT1 1395/4885
US-11654136-B2 Phosphoinositide 3-kinase inhibitor with a zinc binding moiety HDAC1, PI4KA, PDPK1 NPSR1 4579/4885GLO1 4378/4885SOAT1 1395/4885
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB NPSR1 4697/4885GLO1 4472/4885SOAT1 2290/4885
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB NPSR1 4697/4885GLO1 4472/4885SOAT1 2290/4885
US-20150203509-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB NPSR1 4690/4885GLO1 4495/4885SOAT1 2418/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 NPSR1 4175/4885GLO1 2837/4885SOAT1 2531/4885
US-20180133223-A1 COMBINATION THERAPY WITH A PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY BAK1, BCLAF1, BCL2 NPSR1 4663/4885GLO1 4404/4885SOAT1 871/4885
US-20160185796-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR WITH A ZINC BINDING MOIETY HDAC1, PI4KA, PI4K2B NPSR1 4600/4885GLO1 4355/4885SOAT1 1384/4885

“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.