SCHEMBL2116133

SCHEMBL2116133

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TAAR1 Q96RJ0 1/20 0.44
NR3C1 P04150 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 4/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL19974322 0.75 NPC1 (0.58) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL19974323 0.75 NPC1 (0.58) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11174264 0.73 FFAR2 (0.57) FFAR2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL11174268 0.73 FFAR2 (0.57) FFAR2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL13689124 0.73 FFAR2 (0.57) FFAR2LMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL11189725 0.72 FFAR2 (0.52) FFAR2LMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL11188560 0.72 FFAR2 (0.56) FFAR2LMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL11189717 0.72 FFAR2 (0.52) FFAR2LMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL11280779 0.72 FFAR2 (0.52) FFAR2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9931375 0.71 POLB (0.52) LMNASMN1; SMN2NPC1RAB9AKDM4E

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 162/4885LMNA 4576/4885SMN1; SMN2 2337/4885

“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.