SCHEMBL4028700

SCHEMBL4028700

CNCc1cc(C(=O)O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A2 P23975 8/20 0.43
SLC6A4 P31645 8/20 0.43
SLC6A3 Q01959 8/20 0.43
PTK2B Q14289 1/20 0.41
KCNH2 Q12809 2/20 0.41
RXRA P19793 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
VNN1 O95497 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
SCHEMBL3684044 0.82 MRGPRX4 (0.51) EPHX2NR1H4MRGPRX4LMNAMAPK1
SCHEMBL29759273 0.82 MRGPRX4 (0.51) EPHX2NR1H4MRGPRX4LMNAMAPK1
SCHEMBL25705377 0.81 MRGPRX4 (0.47) EPHX2NR1H4MRGPRX4RAB9ASLC6A2
SCHEMBL7642028 0.79 GAA (0.49) EPHX2LMNAHTTRAB9ASLC6A2
SCHEMBL4022762 0.79 GABRA1 (0.39) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1401550 0.78 MRGPRX4 (0.55) EPHX2NR1H4MRGPRX4LMNAMAPK1
SCHEMBL8180138 0.78 EPHX2 (0.43) EPHX2NR1H4MRGPRX4LMNAMAPK1
SCHEMBL4024250 0.78 ALDH1A1 (0.51) PTK2BKMT2AKDM4E
SCHEMBL19050227 0.77 EPHX2 (0.60) EPHX2NR1H4RAB9ASLC6A2SLC6A4
SCHEMBL27360370 0.77 KDM4E (0.47) EPHX2NR1H4LMNAHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 WO 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 EPHX2 4656/4885NR1H4 1028/4885MRGPRX4 3468/4885

“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.