SCHEMBL18364375

SCHEMBL18364375

CC(C)OC(=O)/C=C/C(=O)OCCCNC(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TXNRD1 Q16881 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL18364188 0.92 HCAR2 (0.41) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18364882 0.90 ATM (0.47) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18364362 0.86 ATM (0.43) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18364372 0.85 HCAR2 (0.42) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18364415 0.85 ATM (0.46) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18406548 0.83 HCAR2 (0.41) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18364399 0.83 EPHX1 (0.46) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18364384 0.83 ATM (0.45) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18364397 0.81 HCAR2 (0.44) HCAR2ATMRAB9AMAPTNPSR1
SCHEMBL18354930 0.81 HCAR2 (0.44) HCAR2ATMRAB9AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 US disclosed
US-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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 (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-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885ATM 4406/4885RAB9A 2464/4885
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885ATM 4406/4885RAB9A 2464/4885

“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.