SCHEMBL9931763

SCHEMBL9931763

O=C(O)C=C(CC(=O)Nc1nncs1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ESR2 Q92731 1/20 0.48
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL15309318 0.87 LMNA (0.55) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9931375 0.78 POLB (0.52) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9931372 0.77 POLB (0.55) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2872394 0.74 POLB (0.58) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2872397 0.74 POLB (0.58) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL246755 0.73 LMNA (0.53) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL246754 0.73 LMNA (0.53) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8356392 0.73 POLB (0.56) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1970389 0.73 POLB (0.56) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL12649504 0.73 POLB (0.60) POLBKDM4ECYP1A2CYP3A4CYP2D6

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-20170231942-A1 FUMARATE ESTER DOSAGE FORMS BANNER LIFE SCIENCES LLC 2017-08-17 US disclosed
US-20170056360-A1 FUMARATE ESTER DOSAGE FORMS BANNER LIFE SCIENCES LLC 2017-03-02 US disclosed
US-8778991-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2014-07-15 US disclosed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 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 (3 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-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 POLB 1143/4885KDM4E 484/4885CYP1A2 260/4885
US-20170231942-A1 FUMARATE ESTER DOSAGE FORMS FH, FAH, SDHB POLB 2564/4885KDM4E 763/4885CYP1A2 231/4885
US-20170056360-A1 FUMARATE ESTER DOSAGE FORMS FH, FAH, SDHB POLB 2564/4885KDM4E 763/4885CYP1A2 231/4885

“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.