SCHEMBL18364336

SCHEMBL18364336

CCNC(=O)N[C@H](COC(=O)/C=C/C(=O)OC)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ATM Q13315 2/20 0.46
CTSL P07711 3/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
PIN1 Q13526 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MDM4 O15151 1/20 0.39
LMNA P02545 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL18364330 1.00 POLB (0.47) POLBATMCTSLMAPTTSHR
SCHEMBL18364863 0.96 CTSL (0.47) POLBATMCTSLMAPTTSHR
SCHEMBL18364857 0.96 CTSL (0.47) POLBATMCTSLMAPTTSHR
SCHEMBL18364438 0.91 ATM (0.58) POLBATMCTSLMAPTL3MBTL1
SCHEMBL18364337 0.91 ATM (0.58) POLBATMCTSLMAPTL3MBTL1
SCHEMBL18364312 0.88 ATM (0.44) POLBATMCTSLMAPTL3MBTL1
SCHEMBL18364433 0.88 ATM (0.44) POLBATMCTSLMAPTL3MBTL1
SCHEMBL18364435 0.88 CTSL (0.46) POLBATMCTSLMAPTALDH1A1
SCHEMBL18364315 0.88 CTSL (0.46) POLBATMCTSLMAPTALDH1A1
SCHEMBL18364306 0.87 NPC1 (0.47) POLBATMCTSLMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC POLB 471/4885ATM 4406/4885CTSL 2900/4885

“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.