SCHEMBL2116145

SCHEMBL2116145

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CTSK P43235 1/20 0.39
PKM P14618 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
SCHEMBL9932220 0.72 POLB (0.47) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL13689124 0.71 FFAR2 (0.57) FFAR2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL11174264 0.71 FFAR2 (0.57) FFAR2SMN1; SMN2RAB9ALMNANPC1
Hydrochloric Acid SCHEMBL11280779 0.70 FFAR2 (0.52) FFAR2SMN1; SMN2RAB9ALMNANPC1
Hydrochloric Acid SCHEMBL11189725 0.70 FFAR2 (0.52) FFAR2SMN1; SMN2RAB9ALMNANPC1
Bromide SCHEMBL11193140 0.70 FFAR2 (0.56) FFAR2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL2116133 0.69 FFAR2 (0.49) FFAR2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL11172873 0.68 LMNA (0.50) FFAR2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL11188552 0.68 LMNA (0.50) FFAR2SMN1; SMN2RAB9ALMNANPC1
SCHEMBL10995217 0.67 TSHR (0.41) ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT, INC. (US) 2012-04-19 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-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 FFAR2 162/4885SMN1; SMN2 2337/4885RAB9A 3060/4885

“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.