SCHEMBL17955613

SCHEMBL17955613

OCC(CO)CN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
ALDH1A1 P00352 3/20 0.47
ANPEP P15144 1/20 0.47
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17955607 0.87 USP2 (0.52) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL12014360 0.82 USP2 (0.47) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL11186 0.79 USP2 (0.78) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL4384137 0.79 USP2 (0.78) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL4388837 0.79 USP2 (0.78) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL22470454 0.78 USP2 (0.56) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL3101596 0.77 USP2 (0.56) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL4501023 0.77 USP2 (0.56) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL6696422 0.77 USP2 (0.56) USP2ALDH1A1ANPEPKDM4EMEN1
SCHEMBL6696413 0.77 USP2 (0.56) USP2ALDH1A1ANPEPKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017023445-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2017-02-09 WO disclosed
US-20170027898-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2017-02-02 US disclosed
US-20170027898-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2017-02-02 US disclosed
US-9403784-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-08-02 US disclosed
US-9403784-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-08-02 US 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 (1 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-20170027898-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC USP2 1517/4885ALDH1A1 1949/4885ANPEP 4804/4885

“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.