SCHEMBL459261

SCHEMBL459261

CC(C(N)=O)c1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
ACACB O00763 1/20 0.43
APP P05067 1/20 0.41
PTGS2 P35354 5/20 0.39
TPMT P51580 1/20 0.38
GSK3B P49841 1/20 0.38
PTGS1 P23219 4/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
NR1I3 Q14994 1/20 0.37

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
SCHEMBL27536644 0.82 ACACB (0.46) EPHX1ACACBPTGS2TPMTGSK3B
SCHEMBL14537240 0.80 EPHX1 (0.47) EPHX1APPPTGS2PTGS1LMNA
SCHEMBL462541 0.80 PTGS2 (0.61) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL13446952 0.80 EPHX1 (0.60) EPHX1APPPTGS2PTGS1LMNA
SCHEMBL3261236 0.80 EPHX1 (0.60) EPHX1APPPTGS2PTGS1LMNA
SCHEMBL964721 0.80 EPHX1 (0.60) EPHX1APPPTGS2PTGS1LMNA
SCHEMBL3054675 0.80 EPHX1 (0.60) EPHX1APPPTGS2LMNAALOX5
SCHEMBL16750533 0.80 EPHX1 (0.60) EPHX1APPPTGS2LMNAALOX5
SCHEMBL1064971 0.80 EPHX1 (0.60) EPHX1APPPTGS2PTGS1LMNA
SCHEMBL607802 0.78 EPHX1 (0.58) EPHX1APPLMNACYP2C9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880253-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF Noria Therapeutics, Inc. (US) 2021-09-22 EP disclosed
WO-2020102348-A1 THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF DIMAGNO STEPHEN (US) 2020-05-22 WO disclosed
EP-2614054-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-17 EP disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 EPHX1 3058/4885ACACB 4128/4885APP 133/4885

“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.