SCHEMBL18364438

SCHEMBL18364438

COC(=O)/C=C/C(=O)OC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 2/20 0.54
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ANPEP P15144 2/20 0.47
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CTSL P07711 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL18364337 1.00 ATM (0.58) ATML3MBTL1MAPTCYP3A4CYP2C19
SCHEMBL18364858 0.95 ATM (0.56) ATML3MBTL1MAPTCYP3A4CYP2C19
SCHEMBL18364874 0.95 ATM (0.56) ATML3MBTL1MAPTCYP3A4CYP2C19
SCHEMBL18364336 0.91 POLB (0.47) ATML3MBTL1MAPTALDH1A1POLB
SCHEMBL18364330 0.91 POLB (0.47) ATML3MBTL1MAPTALDH1A1POLB
SCHEMBL18364312 0.88 ATM (0.44) ATML3MBTL1MAPTALDH1A1POLB
SCHEMBL18364433 0.88 ATM (0.44) ATML3MBTL1MAPTALDH1A1POLB
SCHEMBL18364315 0.88 CTSL (0.46) ATMMAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL18364435 0.88 CTSL (0.46) ATMMAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL18364306 0.87 NPC1 (0.47) ATML3MBTL1MAPTCYP3A4CYP2C19

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 ATM 4406/4885L3MBTL1 4164/4885MAPT 8/4885

“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.