SCHEMBL5028072

SCHEMBL5028072

COOC(=O)c1ccccc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.49
PTPN1 P18031 2/20 0.49
PTPRF P10586 1/20 0.49
TSHR P16473 7/20 0.44
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 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
SCHEMBL7651758 0.87 PTPN2 (0.55) PTPN2PTPN1PTPRFTSHRTDP1
SCHEMBL27865356 0.85 TSHR (0.58) TSHRTDP1KMT2ALMNAALDH1A1
SCHEMBL63699 0.83 TSHR (0.61) PTPN2PTPN1PTPRFTSHRTDP1
Ammonia Solution, Strong SCHEMBL28953721 0.82 TSHR (0.59) PTPN2PTPN1PTPRFTSHRTDP1
Benzene SCHEMBL28449714 0.82 TSHR (0.59) PTPN2PTPN1PTPRFTSHRTDP1
Fluoride SCHEMBL28310481 0.82 TSHR (0.59) PTPN2PTPN1PTPRFTSHRTDP1
SCHEMBL21258127 0.79 TSHR (0.58) PTPN2PTPN1PTPRFTSHRTDP1
SCHEMBL27278175 0.79 TSHR (0.61) TSHRKMT2ALMNAALDH1A1HSD17B10
SCHEMBL11639330 0.79 PTPN2 (0.55) PTPN2PTPN1PTPRFTSHRTDP1
SCHEMBL28360458 0.78 PTPN2 (0.47) PTPN2PTPN1PTPRFTSHRTDP1

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-1689732-A4 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS UNIV NORTH CAROLINA (US) 2008-10-22 EP disclosed
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
US-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 US disclosed
US-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-15 US disclosed
EP-1689732-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS The University of North Carolina at Chapel Hill (US) 2006-08-16 EP disclosed
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US disclosed
WO-2005055935-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 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 (3 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-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PTPN2 4833/4885PTPN1 4842/4885PTPRF 4091/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PTPN2 4833/4885PTPN1 4842/4885PTPRF 4091/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PTPN2 4833/4885PTPN1 4842/4885PTPRF 4091/4885

“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.