SCHEMBL10182209

SCHEMBL10182209

CN(CCC(=O)O)Cc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.56
TMEM97 Q5BJF2 3/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
PYCR1 P32322 1/20 0.54
PTGES O14684 1/20 0.52
RIPK1 Q13546 1/20 0.51
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
KDM4A O75164 2/20 0.49
KDM4C Q9H3R0 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL40675 0.82 KDM4A (0.66) SIGMAR1TMEM97KMT2AKDM4AKDM4C
SCHEMBL13746233 0.81 SMN1; SMN2 (0.53) SIGMAR1TMEM97KMT2APYCR1PTGES
SCHEMBL8987604 0.79 KMT2A (0.64) SIGMAR1TMEM97KMT2AMEN1HTT
SCHEMBL535512 0.78 MEP1A (0.54) SIGMAR1TMEM97KMT2AMEN1FFAR1
SCHEMBL2634610 0.78 RIPK1 (0.64) SIGMAR1TMEM97KMT2AMEN1HTT
SCHEMBL6519103 0.77 KMT2A (0.50) SIGMAR1TMEM97KMT2AMEN1HTT
SCHEMBL2773041 0.75 KDM4A (0.43) SIGMAR1TMEM97KMT2AMEN1KDM4A
SCHEMBL20461193 0.75 KMT2A (0.48) SIGMAR1TMEM97KMT2AMEN1HTT
SCHEMBL2773039 0.75 KDM4A (0.43) SIGMAR1TMEM97KMT2AMEN1KDM4A
SCHEMBL16399455 0.75 PYCR1 (0.65) SIGMAR1TMEM97PYCR1PTGESRIPK1

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-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SIGMAR1 1110/4885TMEM97 994/4885KMT2A 4516/4885

“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.